CID 17999211

3-(fluoromethyl)pyridine

Structural Information

Molecular Formula
C6H6FN
SMILES
C1=CC(=CN=C1)CF
InChI
InChI=1S/C6H6FN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2
InChIKey
WMCGGHPSLQFUDV-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

111.04842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.055696 116.5
[M+Na]+ 134.037638 125.3
[M-H]- 110.041144 117.7
[M+NH4]+ 129.082243 138.0
[M+K]+ 150.011578 123.8
[M+H-H2O]+ 94.045680 109.8
[M+HCOO]- 156.046621 139.8
[M+CH3COO]- 170.062271 167.8
[M+Na-2H]- 132.023086 126.1
[M]+ 111.04787142 114.8
[M]- 111.04896858 114.8
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