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 157.7
[M+Na]+ 309.01519 163.4
[M-H]- 285.01869 161.3
[M+NH4]+ 304.05979 172.0
[M+K]+ 324.98913 156.7
[M+H-H2O]+ 269.02323 155.3
[M+HCOO]- 331.02417 177.5
[M+CH3COO]- 345.03982 189.4
[M+Na-2H]- 307.00064 164.1
[M]+ 286.02542 159.1
[M]- 286.02652 159.1
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