CID 24778122

Ethyl ((5-chlorothiophen-2-yl)sulfonyl)carbamate

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
2
Annotation Hits

0
References

100
Patents

268.9583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.965576 155.5
[M+Na]+ 291.947518 164.7
[M-H]- 267.951024 159.8
[M+NH4]+ 286.992123 174.9
[M+K]+ 307.921458 160.3
[M+H-H2O]+ 251.955560 151.4
[M+HCOO]- 313.956501 165.6
[M+CH3COO]- 327.972151 189.1
[M+Na-2H]- 289.932966 156.6
[M]+ 268.95775142 162.0
[M]- 268.95884858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe