CID 98221

P-bromobenzhydryl alcohol

Structural Information

Molecular Formula

C₁₃H₁₁BrO

SMILES

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

InChI

InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H

InChIKey

WTIWDBNPPSHSCB-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 157
Patents: 261.99933 Da
Monoisotopic Mass: 3.4
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]+	263.00661	151.2
[M+Na]+	284.98855	161.2
[M-H]-	260.99205	159.0
[M+NH4]+	280.03315	170.6
[M+K]+	300.96249	149.5
[M+H-H2O]+	244.99659	151.0
[M+HCOO]-	306.99753	171.1
[M+CH3COO]-	321.01318	190.4
[M+Na-2H]-	282.97400	158.1
[M]+	261.99878	168.0
[M]-	261.99988	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe