CID 54594961

8-fluoro-3-iodo-5-nitroquinoline

Structural Information

Molecular Formula
C9H4FIN2O2
SMILES
C1=CC(=C2C(=C1[N+](=O)[O-])C=C(C=N2)I)F
InChI
InChI=1S/C9H4FIN2O2/c10-7-1-2-8(13(14)15)6-3-5(11)4-12-9(6)7/h1-4H
InChIKey
PQIMKBNDMNRRQG-UHFFFAOYSA-N
Compound name
8-fluoro-3-iodo-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.93015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.93743 146.7
[M+Na]+ 340.91937 149.3
[M-H]- 316.92287 142.3
[M+NH4]+ 335.96397 159.8
[M+K]+ 356.89331 148.2
[M+H-H2O]+ 300.92741 139.8
[M+HCOO]- 362.92835 164.4
[M+CH3COO]- 376.94400 190.3
[M+Na-2H]- 338.90482 144.1
[M]+ 317.92960 142.3
[M]- 317.93070 142.3
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

No patent data available for this compound.