CID 316975

Quinoline-6-sulfonic acid

Structural Information

Molecular Formula
C9H7NO3S
SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)O)N=C1
InChI
InChI=1S/C9H7NO3S/c11-14(12,13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H,(H,11,12,13)
InChIKey
PLUQFBYKHVFHMZ-UHFFFAOYSA-N
Compound name
quinoline-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

209.01466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02194 139.7
[M+Na]+ 232.00388 150.0
[M-H]- 208.00738 142.3
[M+NH4]+ 227.04848 158.2
[M+K]+ 247.97782 146.2
[M+H-H2O]+ 192.01192 134.1
[M+HCOO]- 254.01286 155.7
[M+CH3COO]- 268.02851 178.7
[M+Na-2H]- 229.98933 147.9
[M]+ 209.01411 142.2
[M]- 209.01521 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