CID 90734

2-bromobutyryl chloride

Structural Information

Molecular Formula
C4H6BrClO
SMILES
CCC(C(=O)Cl)Br
InChI
InChI=1S/C4H6BrClO/c1-2-3(5)4(6)7/h3H,2H2,1H3
InChIKey
DROZQELYZZXYSX-UHFFFAOYSA-N
Compound name
2-bromobutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

183.92906 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.93634 126.9
[M+Na]+ 206.91828 139.3
[M-H]- 182.92178 130.4
[M+NH4]+ 201.96288 151.1
[M+K]+ 222.89222 128.1
[M+H-H2O]+ 166.92632 129.1
[M+HCOO]- 228.92726 143.1
[M+CH3COO]- 242.94291 178.7
[M+Na-2H]- 204.90373 133.5
[M]+ 183.92851 146.9
[M]- 183.92961 146.9
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