CID 2819408

Ethyl n-(2-chlorophenyl)sulfonylcarbamate

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CCOC(=O)NS(=O)(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H10ClNO4S/c1-2-15-9(12)11-16(13,14)8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)
InChIKey
IZTGISMEDBVWTQ-UHFFFAOYSA-N
Compound name
ethyl N-(2-chlorophenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

263.0019 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.009176 151.8
[M+Na]+ 285.991118 160.5
[M-H]- 261.994624 156.1
[M+NH4]+ 281.035723 169.6
[M+K]+ 301.965058 156.8
[M+H-H2O]+ 245.999160 146.9
[M+HCOO]- 308.000101 166.4
[M+CH3COO]- 322.015751 190.4
[M+Na-2H]- 283.976566 156.0
[M]+ 263.00135142 157.7
[M]- 263.00244858 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe