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
1
Annotation Hits

0
References

91
Patents

268.9583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96558 155.5
[M+Na]+ 291.94752 164.7
[M-H]- 267.95102 159.8
[M+NH4]+ 286.99212 174.9
[M+K]+ 307.92146 160.3
[M+H-H2O]+ 251.95556 151.4
[M+HCOO]- 313.95650 165.6
[M+CH3COO]- 327.97215 189.1
[M+Na-2H]- 289.93297 156.6
[M]+ 268.95775 162.0
[M]- 268.95885 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