CID 68536

Bromomethyl acetate

Structural Information

Molecular Formula

SMILES

CC(=O)OCBr

InChI

InChI=1S/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3

InChIKey

NHYXMAKLBXBVEO-UHFFFAOYSA-N

Compound name

bromomethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3034
Patents: 151.9473 Da
Monoisotopic Mass: 1.0
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]+	152.95458	120.2
[M+Na]+	174.93652	132.2
[M-H]-	150.94002	123.8
[M+NH4]+	169.98112	144.9
[M+K]+	190.91046	123.7
[M+H-H2O]+	134.94456	121.5
[M+HCOO]-	196.94550	142.1
[M+CH3COO]-	210.96115	172.7
[M+Na-2H]-	172.92197	128.8
[M]+	151.94675	140.1
[M]-	151.94785	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe