CID 14572

1206-37-7

Structural Information

Molecular Formula

C₉H₁₁NO₄S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

InChIKey

DGVPSAQTQGLBAM-UHFFFAOYSA-N

Compound name

4-(dimethylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 184
Patents: 229.04088 Da
Monoisotopic Mass: 0.6
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]+	230.04816	147.6
[M+Na]+	252.03010	157.1
[M+NH4]+	247.07470	153.9
[M+K]+	268.00404	152.3
[M-H]-	228.03360	147.5
[M+Na-2H]-	250.01555	152.1
[M]+	229.04033	149.1
[M]-	229.04143	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe