CID 494145

Nsc144445

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
C1=CC=C2C(=C1)C(=CC=[N+]2[O-])S(=O)(=O)N
InChI
InChI=1S/C9H8N2O3S/c10-15(13,14)9-5-6-11(12)8-4-2-1-3-7(8)9/h1-6H,(H2,10,13,14)
InChIKey
OIYJKZPKSGTAKR-UHFFFAOYSA-N
Compound name
1-oxidoquinolin-1-ium-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02556 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03284 141.8
[M+Na]+ 247.01478 151.2
[M-H]- 223.01828 144.1
[M+NH4]+ 242.05938 158.8
[M+K]+ 262.98872 142.2
[M+H-H2O]+ 207.02282 140.5
[M+HCOO]- 269.02376 158.6
[M+CH3COO]- 283.03941 176.1
[M+Na-2H]- 245.00023 151.3
[M]+ 224.02501 140.4
[M]- 224.02611 140.4
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.