CID 23422843

8-hydroxy-2-methyl-7-nitroquinoline-5-sulfonic acid

Structural Information

Molecular Formula
C10H8N2O6S
SMILES
CC1=NC2=C(C(=CC(=C2C=C1)S(=O)(=O)O)[N+](=O)[O-])O
InChI
InChI=1S/C10H8N2O6S/c1-5-2-3-6-8(19(16,17)18)4-7(12(14)15)10(13)9(6)11-5/h2-4,13H,1H3,(H,16,17,18)
InChIKey
FHBCLVFWCVCWLG-UHFFFAOYSA-N
Compound name
8-hydroxy-2-methyl-7-nitroquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

284.0103 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.01758 153.6
[M+Na]+ 306.99952 162.4
[M-H]- 283.00302 155.2
[M+NH4]+ 302.04412 167.4
[M+K]+ 322.97346 154.6
[M+H-H2O]+ 267.00756 152.1
[M+HCOO]- 329.00850 168.5
[M+CH3COO]- 343.02415 186.1
[M+Na-2H]- 304.98497 162.0
[M]+ 284.00975 155.0
[M]- 284.01085 155.0
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

No patent data available for this compound.