CID 70119

4-bromobenzyl alcohol

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CO)Br

InChI

InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey

VEDDBHYQWFOITD-UHFFFAOYSA-N

Compound name

(4-bromophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 3812
Patents: 185.96803 Da
Monoisotopic Mass: 2.0
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]+	186.97531	129.3
[M+Na]+	208.95725	141.2
[M-H]-	184.96075	134.7
[M+NH4]+	204.00185	152.2
[M+K]+	224.93119	130.3
[M+H-H2O]+	168.96529	130.3
[M+HCOO]-	230.96623	150.7
[M+CH3COO]-	244.98188	176.8
[M+Na-2H]-	206.94270	138.3
[M]+	185.96748	147.0
[M]-	185.96858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe