CID 74377

3-bromobenzoyl chloride

Structural Information

Molecular Formula
C7H4BrClO
SMILES
C1=CC(=CC(=C1)Br)C(=O)Cl
InChI
InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
InChIKey
PBOOZQFGWNZNQE-UHFFFAOYSA-N
Compound name
3-bromobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2793
Patents

217.9134 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.92068 131.9
[M+Na]+ 240.90262 145.3
[M-H]- 216.90612 138.6
[M+NH4]+ 235.94722 155.0
[M+K]+ 256.87656 133.1
[M+H-H2O]+ 200.91066 133.7
[M+HCOO]- 262.91160 149.7
[M+CH3COO]- 276.92725 182.9
[M+Na-2H]- 238.88807 140.1
[M]+ 217.91285 152.0
[M]- 217.91395 152.0
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