CID 67001818

8-fluoro-5-nitroisoquinoline

Structural Information

Molecular Formula
C9H5FN2O2
SMILES
C1=CC(=C2C=NC=CC2=C1[N+](=O)[O-])F
InChI
InChI=1S/C9H5FN2O2/c10-8-1-2-9(12(13)14)6-3-4-11-5-7(6)8/h1-5H
InChIKey
VRYKLIWGJJOFHU-UHFFFAOYSA-N
Compound name
8-fluoro-5-nitroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

192.03351 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.040786 133.2
[M+Na]+ 215.022728 142.5
[M-H]- 191.026234 135.8
[M+NH4]+ 210.067333 151.8
[M+K]+ 230.996668 135.6
[M+H-H2O]+ 175.030770 130.3
[M+HCOO]- 237.031711 156.5
[M+CH3COO]- 251.047361 177.8
[M+Na-2H]- 213.008176 143.9
[M]+ 192.03296142 131.0
[M]- 192.03405858 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