CID 2756871

5-bromo-2-chlorobenzoyl chloride

Structural Information

Molecular Formula
C7H3BrCl2O
SMILES
C1=CC(=C(C=C1Br)C(=O)Cl)Cl
InChI
InChI=1S/C7H3BrCl2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
InChIKey
TZIQQJRRMJWMDI-UHFFFAOYSA-N
Compound name
5-bromo-2-chlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

354
Patents

251.87444 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.881716 135.5
[M+Na]+ 274.863658 150.3
[M-H]- 250.867164 141.9
[M+NH4]+ 269.908263 158.0
[M+K]+ 290.837598 136.6
[M+H-H2O]+ 234.871700 138.1
[M+HCOO]- 296.872641 148.5
[M+CH3COO]- 310.888291 188.3
[M+Na-2H]- 272.849106 142.5
[M]+ 251.87389142 156.7
[M]- 251.87498858 156.7
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