CID 459715

7-iodo-5-nitro-8-quinolinol

Structural Information

Molecular Formula
C9H5IN2O3
SMILES
C1=CC2=C(C(=C(C=C2[N+](=O)[O-])I)O)N=C1
InChI
InChI=1S/C9H5IN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H
InChIKey
BVWIUEFGQBEGDS-UHFFFAOYSA-N
Compound name
7-iodo-5-nitroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.93448 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.94176 150.1
[M+Na]+ 338.92370 152.1
[M-H]- 314.92720 145.8
[M+NH4]+ 333.96830 162.6
[M+K]+ 354.89764 151.0
[M+H-H2O]+ 298.93174 144.2
[M+HCOO]- 360.93268 167.5
[M+CH3COO]- 374.94833 187.1
[M+Na-2H]- 336.90915 147.6
[M]+ 315.93393 146.3
[M]- 315.93503 146.3
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