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
4
Annotation Hits

1
References

2787
Patents

169.9134 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.920676 121.9
[M+Na]+ 192.902618 134.9
[M-H]- 168.906124 125.5
[M+NH4]+ 187.947223 146.7
[M+K]+ 208.876558 123.7
[M+H-H2O]+ 152.910660 124.3
[M+HCOO]- 214.911601 139.3
[M+CH3COO]- 228.927251 175.2
[M+Na-2H]- 190.888066 130.3
[M]+ 169.91285142 142.1
[M]- 169.91394858 142.1
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