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

795
Patents

129.039 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.046276 119.5
[M+Na]+ 152.028218 128.0
[M-H]- 128.031724 119.3
[M+NH4]+ 147.072823 140.1
[M+K]+ 168.002158 126.5
[M+H-H2O]+ 112.036260 111.8
[M+HCOO]- 174.037201 140.7
[M+CH3COO]- 188.052851 171.3
[M+Na-2H]- 150.013666 127.2
[M]+ 129.03845142 115.9
[M]- 129.03954858 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