CID 54680162

15151-57-2

Structural Information

Molecular Formula
C9H6N2O4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)[N+](=O)[O-])O
InChI
InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)
InChIKey
SHZUGBYEPDMAPC-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

270
Patents

206.03276 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.040036 136.1
[M+Na]+ 229.021978 145.3
[M-H]- 205.025484 137.7
[M+NH4]+ 224.066583 152.8
[M+K]+ 244.995918 137.5
[M+H-H2O]+ 189.030020 134.5
[M+HCOO]- 251.030961 157.9
[M+CH3COO]- 265.046611 174.1
[M+Na-2H]- 227.007426 146.1
[M]+ 206.03221142 133.8
[M]- 206.03330858 133.8
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