CID 322775

8-hydroxy-7-nitroso-5-quinolinesulfonic acid

Structural Information

Molecular Formula
C9H6N2O5S
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)N=O)S(=O)(=O)O
InChI
InChI=1S/C9H6N2O5S/c12-9-6(11-13)4-7(17(14,15)16)5-2-1-3-10-8(5)9/h1-4,12H,(H,14,15,16)
InChIKey
LZATVADSGLVHDJ-UHFFFAOYSA-N
Compound name
8-hydroxy-7-nitrosoquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.99974 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00702 148.3
[M+Na]+ 276.98896 158.9
[M-H]- 252.99246 151.2
[M+NH4]+ 272.03356 164.6
[M+K]+ 292.96290 155.6
[M+H-H2O]+ 236.99700 142.1
[M+HCOO]- 298.99794 165.6
[M+CH3COO]- 313.01359 189.9
[M+Na-2H]- 274.97441 156.2
[M]+ 253.99919 152.8
[M]- 254.00029 152.8
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