CID 1653285

8-hydroxy-2-quinolinesulfonic acid monohydrate

Structural Information

Molecular Formula
C9H7NO4S
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C9H7NO4S/c11-7-3-1-2-6-4-5-8(10-9(6)7)15(12,13)14/h1-5,11H,(H,12,13,14)
InChIKey
QLJOSEUOQHDGTQ-UHFFFAOYSA-N
Compound name
8-hydroxyquinoline-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

360
Patents

225.00958 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01686 143.0
[M+Na]+ 247.99880 153.4
[M-H]- 224.00230 144.4
[M+NH4]+ 243.04340 160.2
[M+K]+ 263.97274 149.3
[M+H-H2O]+ 208.00684 137.6
[M+HCOO]- 270.00778 157.6
[M+CH3COO]- 284.02343 179.7
[M+Na-2H]- 245.98425 150.3
[M]+ 225.00903 145.4
[M]- 225.01013 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe