CID 2324784

37088-27-0

Structural Information

Molecular Formula

C₉H₁₀ClNO₄S

SMILES

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

InChI

InChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)

InChIKey

GHZFXVLKFOAKRO-UHFFFAOYSA-N

Compound name

2-chloro-5-(dimethylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 263.0019 Da
Monoisotopic Mass: 1.3
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]+	264.00918	153.9
[M+Na]+	285.99112	164.5
[M+NH4]+	281.03572	160.5
[M+K]+	301.96506	159.1
[M-H]-	261.99462	153.9
[M+Na-2H]-	283.97657	158.2
[M]+	263.00135	156.0
[M]-	263.00245	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe