CID 11030308

Phenyl sulfamate

Structural Information

Molecular Formula
C6H7NO3S
SMILES
C1=CC=C(C=C1)OS(=O)(=O)N
InChI
InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey
XOIYZMDJFLKIEI-UHFFFAOYSA-N
Compound name
phenyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

728
Patents

173.01466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 131.3
[M+Na]+ 196.00388 139.9
[M-H]- 172.00738 135.0
[M+NH4]+ 191.04848 151.4
[M+K]+ 211.97782 137.7
[M+H-H2O]+ 156.01192 125.7
[M+HCOO]- 218.01286 151.3
[M+CH3COO]- 232.02851 175.0
[M+Na-2H]- 193.98933 137.7
[M]+ 173.01411 132.8
[M]- 173.01521 132.8
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