CID 24778122

849793-87-9

Structural Information

Molecular Formula

C₇H₈ClNO₄S₂

SMILES

CCOC(=O)NS(=O)(=O)C1=CC=C(S1)Cl

InChI

InChI=1S/C7H8ClNO4S2/c1-2-13-7(10)9-15(11,12)6-4-3-5(8)14-6/h3-4H,2H2,1H3,(H,9,10)

InChIKey

XALLJMFDLUYTTF-UHFFFAOYSA-N

Compound name

ethyl N-(5-chlorothiophen-2-yl)sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 268.9583 Da
Monoisotopic Mass: 2.4
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]+	269.96558	158.3
[M+Na]+	291.94752	166.3
[M+NH4]+	286.99212	165.0
[M+K]+	307.92146	160.4
[M-H]-	267.95102	157.6
[M+Na-2H]-	289.93297	160.3
[M]+	268.95775	160.1
[M]-	268.95885	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe