CID 2555956

59210-69-4

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₄S

SMILES

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

InChI

InChI=1S/C10H10ClNO4S/c1-2-5-12-17(15,16)9-6-7(10(13)14)3-4-8(9)11/h2-4,6,12H,1,5H2,(H,13,14)

InChIKey

UBUFAHXEAXHNTE-UHFFFAOYSA-N

Compound name

4-chloro-3-(prop-2-enylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 275.0019 Da
Monoisotopic Mass: 1.7
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]+	276.009176	154.5
[M+Na]+	297.991118	163.2
[M-H]-	273.994624	157.4
[M+NH4]+	293.035723	171.1
[M+K]+	313.965058	157.8
[M+H-H2O]+	257.999160	150.0
[M+HCOO]-	320.000101	167.4
[M+CH3COO]-	334.015751	192.7
[M+Na-2H]-	295.976566	157.2
[M]+	275.00135142	158.7
[M]-	275.00244858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe