CID 22058798

Phenyl n-(chlorosulfonyl)carbamate

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
C1=CC=C(C=C1)OC(=O)NS(=O)(=O)Cl
InChI
InChI=1S/C7H6ClNO4S/c8-14(11,12)9-7(10)13-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKey
KBZORIBFGMIGOT-UHFFFAOYSA-N
Compound name
phenyl N-chlorosulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

234.97061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.977886 143.3
[M+Na]+ 257.959828 152.0
[M-H]- 233.963334 147.6
[M+NH4]+ 253.004433 161.9
[M+K]+ 273.933768 148.7
[M+H-H2O]+ 217.967870 138.5
[M+HCOO]- 279.968811 158.6
[M+CH3COO]- 293.984461 183.3
[M+Na-2H]- 255.945276 149.1
[M]+ 234.97006142 148.1
[M]- 234.97115858 148.1
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