CID 26345

13945-53-4

Structural Information

Molecular Formula

C₉H₁₀ClNO₄S

SMILES

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

InChI

InChI=1S/C9H10ClNO4S/c1-2-15-9(12)11-16(13,14)8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)

InChIKey

FACGRORYCNHVPV-UHFFFAOYSA-N

Compound name

ethyl N-(4-chlorophenyl)sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 263.0019 Da
Monoisotopic Mass: 1.4
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]+	264.00918	151.8
[M+Na]+	285.99112	160.5
[M-H]-	261.99462	156.1
[M+NH4]+	281.03572	169.6
[M+K]+	301.96506	156.8
[M+H-H2O]+	245.99916	146.9
[M+HCOO]-	308.00010	166.4
[M+CH3COO]-	322.01575	190.4
[M+Na-2H]-	283.97657	156.0
[M]+	263.00135	157.7
[M]-	263.00245	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe