CID 18071578

4-[(pyridin-4-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
C1=CC(=CC=C1C(=O)O)S(=O)(=O)NC2=CC=NC=C2
InChI
InChI=1S/C12H10N2O4S/c15-12(16)9-1-3-11(4-2-9)19(17,18)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)(H,15,16)
InChIKey
QQNKGFIGOAHUQQ-UHFFFAOYSA-N
Compound name
4-(pyridin-4-ylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03613 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04341 158.3
[M+Na]+ 301.02535 165.9
[M-H]- 277.02885 162.7
[M+NH4]+ 296.06995 171.8
[M+K]+ 316.99929 161.6
[M+H-H2O]+ 261.03339 150.6
[M+HCOO]- 323.03433 175.2
[M+CH3COO]- 337.04998 193.3
[M+Na-2H]- 299.01080 163.8
[M]+ 278.03558 159.5
[M]- 278.03668 159.5
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.