CID 97980

2-bromopropionyl chloride

Structural Information

Molecular Formula
C3H4BrClO
SMILES
CC(C(=O)Cl)Br
InChI
InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
InChIKey
OZGMODDEIHYPRY-UHFFFAOYSA-N
Compound name
2-bromopropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1653
Patents

169.9134 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.92068 122.1
[M+Na]+ 192.90262 134.9
[M-H]- 168.90612 125.8
[M+NH4]+ 187.94722 146.9
[M+K]+ 208.87656 124.0
[M+H-H2O]+ 152.91066 124.6
[M+HCOO]- 214.91160 138.6
[M+CH3COO]- 228.92725 175.9
[M+Na-2H]- 190.88807 129.3
[M]+ 169.91285 141.7
[M]- 169.91395 141.7
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