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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.043406	158.3
[M+Na]+	301.025348	165.9
[M-H]-	277.028854	162.7
[M+NH4]+	296.069953	171.8
[M+K]+	316.999288	161.6
[M+H-H2O]+	261.033390	150.6
[M+HCOO]-	323.034331	175.2
[M+CH3COO]-	337.049981	193.3
[M+Na-2H]-	299.010796	163.8
[M]+	278.03558142	159.5
[M]-	278.03667858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.