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]+ 254.023006 146.5
[M+Na]+ 276.004948 154.9
[M-H]- 252.008454 149.9
[M+NH4]+ 271.049553 162.1
[M+K]+ 291.978888 147.1
[M+H-H2O]+ 236.012990 144.4
[M+HCOO]- 298.013931 164.9
[M+CH3COO]- 312.029581 185.5
[M+Na-2H]- 273.990396 156.4
[M]+ 253.01518142 146.0
[M]- 253.01627858 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.