CID 640476

4-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C6H5F2N
SMILES
C1=CN=CC=C1C(F)F
InChI
InChI=1S/C6H5F2N/c7-6(8)5-1-3-9-4-2-5/h1-4,6H
InChIKey
XPNKTOPRNGWNCL-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.