CID 25239818

5-bromo-2-chlorobenzamide

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
C1=CC(=C(C=C1Br)C(=O)N)Cl
InChI
InChI=1S/C7H5BrClNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
InChIKey
UZELTISECDSPNW-UHFFFAOYSA-N
Compound name
5-bromo-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

232.9243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.931576 137.1
[M+Na]+ 255.913518 150.2
[M-H]- 231.917024 143.4
[M+NH4]+ 250.958123 159.1
[M+K]+ 271.887458 137.3
[M+H-H2O]+ 215.921560 138.0
[M+HCOO]- 277.922501 155.0
[M+CH3COO]- 291.938151 187.7
[M+Na-2H]- 253.898966 143.5
[M]+ 232.92375142 155.7
[M]- 232.92484858 155.7
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