CID 977914

74138-28-6

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₄S

SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C10H12ClNO4S/c1-6(2)12-17(15,16)7-3-4-9(11)8(5-7)10(13)14/h3-6,12H,1-2H3,(H,13,14)

InChIKey

SEYHVXLJZBTBCF-UHFFFAOYSA-N

Compound name

2-chloro-5-(propan-2-ylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 277.01755 Da
Monoisotopic Mass: 2.0
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]+	278.02483	158.4
[M+Na]+	300.00677	168.3
[M+NH4]+	295.05137	164.4
[M+K]+	315.98071	162.9
[M-H]-	276.01027	157.8
[M+Na-2H]-	297.99222	161.9
[M]+	277.01700	160.1
[M]-	277.01810	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe