CID 19754905

4-bromo-3-chlorobenzoyl chloride

Structural Information

Molecular Formula
C7H3BrCl2O
SMILES
C1=CC(=C(C=C1C(=O)Cl)Cl)Br
InChI
InChI=1S/C7H3BrCl2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKey
OEFADALRZHTONM-UHFFFAOYSA-N
Compound name
4-bromo-3-chlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

251.87444 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.88172 135.5
[M+Na]+ 274.86366 150.3
[M-H]- 250.86716 141.9
[M+NH4]+ 269.90826 158.0
[M+K]+ 290.83760 136.6
[M+H-H2O]+ 234.87170 138.1
[M+HCOO]- 296.87264 148.5
[M+CH3COO]- 310.88829 188.3
[M+Na-2H]- 272.84911 142.5
[M]+ 251.87389 156.7
[M]- 251.87499 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

No literature data available for this compound.

Patent stripe

patents stripe