CID 31535

22819-24-5

Structural Information

Molecular Formula
C9H10N2O6S
SMILES
CCOC(=O)NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O6S/c1-2-17-9(12)10-18(15,16)8-5-3-4-7(6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKey
SLZGNLCNDUCQFA-UHFFFAOYSA-N
Compound name
ethyl N-(3-nitrophenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

274.02597 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03325 153.8
[M+Na]+ 297.01519 159.7
[M-H]- 273.01869 157.6
[M+NH4]+ 292.05979 168.7
[M+K]+ 312.98913 153.8
[M+H-H2O]+ 257.02323 151.6
[M+HCOO]- 319.02417 173.7
[M+CH3COO]- 333.03982 187.4
[M+Na-2H]- 295.00064 160.7
[M]+ 274.02542 155.6
[M]- 274.02652 155.6
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