CID 13149642

(4-(hydroxymethyl)phenyl)(phenyl)methanone

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

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

InChI

InChI=1S/C14H12O2/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9,15H,10H2

InChIKey

YZHGHGHCDSLOBP-UHFFFAOYSA-N

Compound name

[4-(hydroxymethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 135
Patents: 212.08372 Da
Monoisotopic Mass: 2.4
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]+	213.090996	145.6
[M+Na]+	235.072938	152.7
[M-H]-	211.076444	151.1
[M+NH4]+	230.117543	163.3
[M+K]+	251.046878	148.9
[M+H-H2O]+	195.080980	138.8
[M+HCOO]-	257.081921	168.2
[M+CH3COO]-	271.097571	184.7
[M+Na-2H]-	233.058386	151.4
[M]+	212.08317142	144.8
[M]-	212.08426858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe