CID 377519

Nsc659005

Structural Information

Molecular Formula
C10H7NO6S
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C10H7NO6S/c12-9-6(10(13)14)4-7(18(15,16)17)5-2-1-3-11-8(5)9/h1-4,12H,(H,13,14)(H,15,16,17)
InChIKey
GQDLEZOFASMXSI-UHFFFAOYSA-N
Compound name
8-hydroxy-5-sulfoquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.99942 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00670 152.0
[M+Na]+ 291.98864 161.5
[M-H]- 267.99214 152.1
[M+NH4]+ 287.03324 166.5
[M+K]+ 307.96258 157.8
[M+H-H2O]+ 251.99668 146.6
[M+HCOO]- 313.99762 164.2
[M+CH3COO]- 328.01327 186.4
[M+Na-2H]- 289.97409 157.3
[M]+ 268.99887 154.9
[M]- 268.99997 154.9
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