CID 10482

Acetyl bromide

Structural Information

Molecular Formula

SMILES

CC(=O)Br

InChI

InChI=1S/C2H3BrO/c1-2(3)4/h1H3

InChIKey

FXXACINHVKSMDR-UHFFFAOYSA-N

Compound name

acetyl bromide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 60
References: 14209
Patents: 121.93673 Da
Monoisotopic Mass: 0.8
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]+	122.94401	112.7
[M+Na]+	144.92595	125.1
[M-H]-	120.92945	116.5
[M+NH4]+	139.97055	138.5
[M+K]+	160.89989	116.4
[M+H-H2O]+	104.93399	114.5
[M+HCOO]-	166.93493	134.7
[M+CH3COO]-	180.95058	168.6
[M+Na-2H]-	142.91140	121.9
[M]+	121.93618	131.0
[M]-	121.93728	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe