CID 640475

3-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C6H5F2N
SMILES
C1=CC(=CN=C1)C(F)F
InChI
InChI=1S/C6H5F2N/c7-6(8)5-2-1-3-9-4-5/h1-4,6H
InChIKey
HKRKGTFBASUFRO-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

129.039 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04628 123.7
[M+Na]+ 152.02822 135.4
[M+NH4]+ 147.07282 131.6
[M+K]+ 168.00216 129.3
[M-H]- 128.03172 122.9
[M+Na-2H]- 150.01367 130.7
[M]+ 129.03845 125.0
[M]- 129.03955 125.0
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