CID 117058

Ethyl [3-(chlorosulfonyl)phenyl]carbamate

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CCOC(=O)NC1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO4S/c1-2-15-9(12)11-7-4-3-5-8(6-7)16(10,13)14/h3-6H,2H2,1H3,(H,11,12)
InChIKey
LYBBKZMFGDIPHZ-UHFFFAOYSA-N
Compound name
ethyl N-(3-chlorosulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0019 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.