CID 46316749

3-(3,4-difluorophenyl)pyridine

Structural Information

Molecular Formula
C11H7F2N
SMILES
C1=CC(=CN=C1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H7F2N/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h1-7H
InChIKey
FJSSLLWBMYKGDJ-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

191.05466 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06194 135.5
[M+Na]+ 214.04388 145.5
[M-H]- 190.04738 138.8
[M+NH4]+ 209.08848 153.8
[M+K]+ 230.01782 141.2
[M+H-H2O]+ 174.05192 126.3
[M+HCOO]- 236.05286 157.5
[M+CH3COO]- 250.06851 149.0
[M+Na-2H]- 212.02933 142.8
[M]+ 191.05411 132.6
[M]- 191.05521 132.6
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