CID 3088079

116943-61-4

Structural Information

Molecular Formula
C9H9N3O6S
SMILES
C1COC(=O)N1S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O6S/c13-9-11(4-5-18-9)19(16,17)10-7-2-1-3-8(6-7)12(14)15/h1-3,6,10H,4-5H2
InChIKey
CLTWCVQPCJZHOO-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0212 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02848 156.8
[M+Na]+ 310.01042 163.0
[M-H]- 286.01392 163.3
[M+NH4]+ 305.05502 170.2
[M+K]+ 325.98436 157.5
[M+H-H2O]+ 270.01846 154.4
[M+HCOO]- 332.01940 175.2
[M+CH3COO]- 346.03505 188.7
[M+Na-2H]- 307.99587 164.3
[M]+ 287.02065 156.2
[M]- 287.02175 156.2
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.