CID 2369451

3-[(4-bromophenyl)sulfamoyl]-4-chlorobenzoic acid

Structural Information

Molecular Formula
C13H9BrClNO4S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)Br
InChI
InChI=1S/C13H9BrClNO4S/c14-9-2-4-10(5-3-9)16-21(19,20)12-7-8(13(17)18)1-6-11(12)15/h1-7,16H,(H,17,18)
InChIKey
UPDFFRNGNMGTCD-UHFFFAOYSA-N
Compound name
3-[(4-bromophenyl)sulfamoyl]-4-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]+ 389.91968 164.0
[M+Na]+ 411.90162 176.3
[M-H]- 387.90512 172.6
[M+NH4]+ 406.94622 179.8
[M+K]+ 427.87556 162.0
[M+H-H2O]+ 371.90966 164.1
[M+HCOO]- 433.91060 175.3
[M+CH3COO]- 447.92625 208.3
[M+Na-2H]- 409.88707 169.3
[M]+ 388.91185 186.4
[M]- 388.91295 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.