CID 18629041

Methyl 2-chloro-4-sulfamoylbenzoate

Structural Information

Molecular Formula

C₈H₈ClNO₄S

SMILES

COC(=O)C1=C(C=C(C=C1)S(=O)(=O)N)Cl

InChI

InChI=1S/C8H8ClNO4S/c1-14-8(11)6-3-2-5(4-7(6)9)15(10,12)13/h2-4H,1H3,(H2,10,12,13)

InChIKey

RYBCUBHRVSIRLN-UHFFFAOYSA-N

Compound name

methyl 2-chloro-4-sulfamoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 248.98625 Da
Monoisotopic Mass: 1.2
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]+	249.99353	150.1
[M+Na]+	271.97547	161.0
[M+NH4]+	267.02007	156.8
[M+K]+	287.94941	155.1
[M-H]-	247.97897	150.1
[M+Na-2H]-	269.96092	154.4
[M]+	248.98570	152.2
[M]-	248.98680	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe