CID 1119030

5-(4-bromo-phenylsulfamoyl)-2-chloro-benzoic acid

Structural Information

Molecular Formula
C13H9BrClNO4S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)Br
InChI
InChI=1S/C13H9BrClNO4S/c14-8-1-3-9(4-2-8)16-21(19,20)10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,(H,17,18)
InChIKey
WFJZFEXHLJNUBP-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.9124 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.919676 164.0
[M+Na]+ 411.901618 176.3
[M-H]- 387.905124 172.6
[M+NH4]+ 406.946223 179.8
[M+K]+ 427.875558 162.0
[M+H-H2O]+ 371.909660 164.1
[M+HCOO]- 433.910601 175.3
[M+CH3COO]- 447.926251 208.3
[M+Na-2H]- 409.887066 169.3
[M]+ 388.91185142 186.4
[M]- 388.91294858 186.4
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.