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]+ 264.00918 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
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.