CID 160532

2-fluoroquinoline

Structural Information

Molecular Formula
C9H6FN
SMILES
C1=CC=C2C(=C1)C=CC(=N2)F
InChI
InChI=1S/C9H6FN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey
NLEPLDKPYLYCSY-UHFFFAOYSA-N
Compound name
2-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2017
Patents

147.04843 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.055706 124.5
[M+Na]+ 170.037648 134.5
[M-H]- 146.041154 126.8
[M+NH4]+ 165.082253 145.8
[M+K]+ 186.011588 131.2
[M+H-H2O]+ 130.045690 117.3
[M+HCOO]- 192.046631 146.7
[M+CH3COO]- 206.062281 138.8
[M+Na-2H]- 168.023096 134.9
[M]+ 147.04788142 123.0
[M]- 147.04897858 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe