CID 611894

21926-53-4

Structural Information

Molecular Formula

C₈H₈ClNO₄S

SMILES

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

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

InChIKey

PXQWDWGLZDPBET-UHFFFAOYSA-N

Compound name

methyl N-(4-chlorosulfonylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 248.98625 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]+	249.99353	150.1
[M+Na]+	271.97547	160.9
[M+NH4]+	267.02007	156.9
[M+K]+	287.94941	154.6
[M-H]-	247.97897	150.2
[M+Na-2H]-	269.96092	155.0
[M]+	248.98570	152.2
[M]-	248.98680	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe