CID 90359610

2-(difluoromethyl)-3-methylpyridine

Structural Information

Molecular Formula
C7H7F2N
SMILES
CC1=C(N=CC=C1)C(F)F
InChI
InChI=1S/C7H7F2N/c1-5-3-2-4-10-6(5)7(8)9/h2-4,7H,1H3
InChIKey
JZCCSNDHXWMNMH-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

143.05466 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 123.8
[M+Na]+ 166.04388 132.8
[M-H]- 142.04738 123.8
[M+NH4]+ 161.08848 144.1
[M+K]+ 182.01782 131.0
[M+H-H2O]+ 126.05192 116.1
[M+HCOO]- 188.05286 144.6
[M+CH3COO]- 202.06851 175.5
[M+Na-2H]- 164.02933 130.2
[M]+ 143.05411 120.9
[M]- 143.05521 120.9
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

patents stripe