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

50
Patents

234.97061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 143.3
[M+Na]+ 257.95983 152.0
[M-H]- 233.96333 147.6
[M+NH4]+ 253.00443 161.9
[M+K]+ 273.93377 148.7
[M+H-H2O]+ 217.96787 138.5
[M+HCOO]- 279.96881 158.6
[M+CH3COO]- 293.98446 183.3
[M+Na-2H]- 255.94528 149.1
[M]+ 234.97006 148.1
[M]- 234.97116 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