CID 119084222

1261524-60-0

Structural Information

Molecular Formula
C6H5BrClNO2S
SMILES
C1=C(C=C(C=C1Cl)Br)S(=O)(=O)N
InChI
InChI=1S/C6H5BrClNO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
JGIJYZFOWSNYFA-UHFFFAOYSA-N
Compound name
3-bromo-5-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.8913 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.89858 135.3
[M+Na]+ 291.88052 149.8
[M-H]- 267.88402 142.3
[M+NH4]+ 286.92512 156.7
[M+K]+ 307.85446 135.9
[M+H-H2O]+ 251.88856 136.8
[M+HCOO]- 313.88950 148.5
[M+CH3COO]- 327.90515 189.2
[M+Na-2H]- 289.86597 141.9
[M]+ 268.89075 156.4
[M]- 268.89185 156.4
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

No patent data available for this compound.