CID 11033445

N-allyloxycarbonyl-2-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C10H10N2O6S
SMILES
C=CCOC(=O)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O6S/c1-2-7-18-10(13)11-19(16,17)9-6-4-3-5-8(9)12(14)15/h2-6H,1,7H2,(H,11,13)
InChIKey
CRGOQFIAULBODK-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(2-nitrophenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.02597 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03325 156.5
[M+Na]+ 309.01519 165.6
[M+NH4]+ 304.05979 161.2
[M+K]+ 324.98913 163.4
[M-H]- 285.01869 156.6
[M+Na-2H]- 307.00064 160.0
[M]+ 286.02542 157.7
[M]- 286.02652 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

patents stripe