CID 70225

4-bromobutyryl chloride

Structural Information

Molecular Formula
C4H6BrClO
SMILES
C(CC(=O)Cl)CBr
InChI
InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2
InChIKey
LRTRXDSAJLSRTG-UHFFFAOYSA-N
Compound name
4-bromobutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3022
Patents

183.92906 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.93634 127.9
[M+Na]+ 206.91828 130.6
[M+NH4]+ 201.96288 133.0
[M+K]+ 222.89222 130.5
[M-H]- 182.92178 126.4
[M+Na-2H]- 204.90373 129.8
[M]+ 183.92851 126.8
[M]- 183.92961 126.8
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