CID 2320988

4-(3,4-difluorobenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C13H9F2NO4S
SMILES
C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C13H9F2NO4S/c14-11-6-5-10(7-12(11)15)21(19,20)16-9-3-1-8(2-4-9)13(17)18/h1-7,16H,(H,17,18)
InChIKey
YMKFPZZZDXNJTL-UHFFFAOYSA-N
Compound name
4-[(3,4-difluorophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.02203 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.02931 162.8
[M+Na]+ 336.01125 171.6
[M-H]- 312.01475 166.3
[M+NH4]+ 331.05585 176.6
[M+K]+ 351.98519 166.6
[M+H-H2O]+ 296.01929 154.0
[M+HCOO]- 358.02023 178.4
[M+CH3COO]- 372.03588 201.4
[M+Na-2H]- 333.99670 165.4
[M]+ 313.02148 162.6
[M]- 313.02258 162.6
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.