CID 103942

51728-14-4

Structural Information

Molecular Formula

C₁₉H₁₆O₃

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C19H16O3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)22/h1-12,19-22H

InChIKey

QCBIZOJTQQOZOV-UHFFFAOYSA-N

Compound name

2-[bis(4-hydroxyphenyl)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 292.10995 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.117226	167.1
[M+Na]+	315.099168	173.7
[M-H]-	291.102674	173.3
[M+NH4]+	310.143773	180.0
[M+K]+	331.073108	168.0
[M+H-H2O]+	275.107210	159.1
[M+HCOO]-	337.108151	186.1
[M+CH3COO]-	351.123801	177.6
[M+Na-2H]-	313.084616	170.3
[M]+	292.10940142	164.6
[M]-	292.11049858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe