CID 4462285

Quinoline-4-sulfonic acid

Structural Information

Molecular Formula
C9H7NO3S
SMILES
C1=CC=C2C(=C1)C(=CC=N2)S(=O)(=O)O
InChI
InChI=1S/C9H7NO3S/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,11,12,13)
InChIKey
UJRYDUDEJGXDNA-UHFFFAOYSA-N
Compound name
quinoline-4-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

209.01466 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.021936 139.7
[M+Na]+ 232.003878 150.0
[M-H]- 208.007384 142.3
[M+NH4]+ 227.048483 158.2
[M+K]+ 247.977818 146.2
[M+H-H2O]+ 192.011920 134.1
[M+HCOO]- 254.012861 155.7
[M+CH3COO]- 268.028511 178.7
[M+Na-2H]- 229.989326 147.9
[M]+ 209.01411142 142.2
[M]- 209.01520858 142.2
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

patents stripe