CID 676519

Methyl n-(benzenesulfonyl)carbamate

Structural Information

Molecular Formula
C8H9NO4S
SMILES
COC(=O)NS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H9NO4S/c1-13-8(10)9-14(11,12)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey
QHSZICITQBPJNK-UHFFFAOYSA-N
Compound name
methyl N-(benzenesulfonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

70
Patents

215.02522 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 142.6
[M+Na]+ 238.01444 150.3
[M-H]- 214.01794 146.6
[M+NH4]+ 233.05904 161.1
[M+K]+ 253.98838 148.5
[M+H-H2O]+ 198.02248 136.6
[M+HCOO]- 260.02342 162.0
[M+CH3COO]- 274.03907 182.4
[M+Na-2H]- 235.99989 148.1
[M]+ 215.02467 145.8
[M]- 215.02577 145.8
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.