CID 8190141

5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid

Structural Information

Molecular Formula
C13H9BrFNO4S
SMILES
C1=CC(=CC(=C1)Br)NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H9BrFNO4S/c14-8-2-1-3-9(6-8)16-21(19,20)10-4-5-12(15)11(7-10)13(17)18/h1-7,16H,(H,17,18)
InChIKey
PXXAMFCNVBFKKK-UHFFFAOYSA-N
Compound name
5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.94196 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.94924 163.3
[M+Na]+ 395.93118 174.7
[M-H]- 371.93468 170.4
[M+NH4]+ 390.97578 178.6
[M+K]+ 411.90512 161.5
[M+H-H2O]+ 355.93922 161.4
[M+HCOO]- 417.94016 177.8
[M+CH3COO]- 431.95581 207.4
[M+Na-2H]- 393.91663 168.0
[M]+ 372.94141 182.6
[M]- 372.94251 182.6
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.