CID 68536

Bromomethyl acetate

Structural Information

Molecular Formula
C3H5BrO2
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
3
Annotation Hits

2
References

3128
Patents

151.9473 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.954576 120.2
[M+Na]+ 174.936518 132.2
[M-H]- 150.940024 123.8
[M+NH4]+ 169.981123 144.9
[M+K]+ 190.910458 123.7
[M+H-H2O]+ 134.944560 121.5
[M+HCOO]- 196.945501 142.1
[M+CH3COO]- 210.961151 172.7
[M+Na-2H]- 172.921966 128.8
[M]+ 151.94675142 140.1
[M]- 151.94784858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe