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

1982
Patents

147.04843 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05571 124.5
[M+Na]+ 170.03765 134.5
[M-H]- 146.04115 126.8
[M+NH4]+ 165.08225 145.8
[M+K]+ 186.01159 131.2
[M+H-H2O]+ 130.04569 117.3
[M+HCOO]- 192.04663 146.7
[M+CH3COO]- 206.06228 138.8
[M+Na-2H]- 168.02310 134.9
[M]+ 147.04788 123.0
[M]- 147.04898 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