ACCESSION: MSBNK-EPA-ENTACT_AGILENT002328
RECORD_TITLE: 1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane
CH$NAME: DTXSID6051306
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₄₀O₂
CH$EXACT_MASS: 432.3028305206
CH$SMILES: OC1C=CC(=CC=1C1CCCCC1)C1(CCCCC1)C1C=C(C2CCCCC2)C(O)=CC=1
CH$IUPAC: InChI=1S/C30H40O2/c31-28-16-14-24(20-26(28)22-10-4-1-5-11-22)30(18-8-3-9-19-30)25-15-17-29(32)27(21-25)23-12-6-2-7-13-23/h14-17,20-23,31-32H,1-13,18-19H2
CH$LINK: CAS 4221-68-5
CH$LINK: INCHIKEY DNCLEPRFPJLBTQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21943953

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 431.2955540689
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0011900000-e83e77bcc9bd7f553500
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  175.112839 1.634597 16
  227.144139 2.003579 20
  255.175439 12.09835 120
  361.217304 2.680602 26
  362.225129 3.174807 31
  387.232954 4.057879 40
  388.240779 3.556821 35
  431.295554 99.999997 999
//