CID 3031755

5-nitroquinoline-8-sulfonamide

Structural Information

Molecular Formula
C9H7N3O4S
SMILES
C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O4S/c10-17(15,16)8-4-3-7(12(13)14)6-2-1-5-11-9(6)8/h1-5H,(H2,10,15,16)
InChIKey
CJSQAFQNYLQGAA-UHFFFAOYSA-N
Compound name
5-nitroquinoline-8-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01573 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.02301 146.5
[M+Na]+ 276.00495 154.9
[M-H]- 252.00845 149.9
[M+NH4]+ 271.04955 162.1
[M+K]+ 291.97889 147.1
[M+H-H2O]+ 236.01299 144.4
[M+HCOO]- 298.01393 164.9
[M+CH3COO]- 312.02958 185.5
[M+Na-2H]- 273.99040 156.4
[M]+ 253.01518 146.0
[M]- 253.01628 146.0
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.