CID 84944

3-bromopropionyl chloride

Structural Information

Molecular Formula
C3H4BrClO
SMILES
C(CBr)C(=O)Cl
InChI
InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
InChIKey
IHBVNSPHKMCPST-UHFFFAOYSA-N
Compound name
3-bromopropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2268
Patents

169.9134 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.92068 123.4
[M+Na]+ 192.90262 126.3
[M+NH4]+ 187.94722 128.7
[M+K]+ 208.87656 126.5
[M-H]- 168.90612 121.9
[M+Na-2H]- 190.88807 125.6
[M]+ 169.91285 122.3
[M]- 169.91395 122.3
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