CID 154498

8-fluoro-5-nitroquinoline

Structural Information

Molecular Formula
C9H5FN2O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C9H5FN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
InChIKey
WOSYAMNMWPZLGF-UHFFFAOYSA-N
Compound name
8-fluoro-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

192.03351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04079 133.2
[M+Na]+ 215.02273 142.5
[M-H]- 191.02623 135.8
[M+NH4]+ 210.06733 151.8
[M+K]+ 230.99667 135.6
[M+H-H2O]+ 175.03077 130.3
[M+HCOO]- 237.03171 156.5
[M+CH3COO]- 251.04736 177.8
[M+Na-2H]- 213.00818 143.9
[M]+ 192.03296 131.0
[M]- 192.03406 131.0
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

patents stripe