CID 73425214

8-fluoroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H5FN2
SMILES
C1=CC2=CC(=CN=C2C(=C1)F)C#N
InChI
InChI=1S/C10H5FN2/c11-9-3-1-2-8-4-7(5-12)6-13-10(8)9/h1-4,6H
InChIKey
HNRWQTSDXOMTGG-UHFFFAOYSA-N
Compound name
8-fluoroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.04367 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05095 132.8
[M+Na]+ 195.03289 145.1
[M-H]- 171.03639 134.3
[M+NH4]+ 190.07749 151.0
[M+K]+ 211.00683 139.5
[M+H-H2O]+ 155.04093 119.0
[M+HCOO]- 217.04187 151.0
[M+CH3COO]- 231.05752 145.1
[M+Na-2H]- 193.01834 141.0
[M]+ 172.04312 126.8
[M]- 172.04422 126.8
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