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 145.2
[M+Na]+ 276.00495 157.6
[M+NH4]+ 271.04955 152.3
[M+K]+ 291.97889 154.1
[M-H]- 252.00845 147.5
[M+Na-2H]- 273.99040 151.1
[M]+ 253.01518 147.8
[M]- 253.01628 147.8
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.