CID 639501

2-(difluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

802
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 119.5
[M+Na]+ 152.02822 128.0
[M-H]- 128.03172 119.3
[M+NH4]+ 147.07282 140.1
[M+K]+ 168.00216 126.5
[M+H-H2O]+ 112.03626 111.8
[M+HCOO]- 174.03720 140.7
[M+CH3COO]- 188.05285 171.3
[M+Na-2H]- 150.01367 127.2
[M]+ 129.03845 115.9
[M]- 129.03955 115.9
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