CID 122402929

1806786-33-3

Structural Information

Molecular Formula
C7H6F3N
SMILES
CC1=CC(=C(N=C1)F)C(F)F
InChI
InChI=1S/C7H6F3N/c1-4-2-5(6(8)9)7(10)11-3-4/h2-3,6H,1H3
InChIKey
FJADOPXOMSABOK-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-2-fluoro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.04523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05251 126.0
[M+Na]+ 184.03445 136.1
[M-H]- 160.03795 125.0
[M+NH4]+ 179.07905 145.8
[M+K]+ 200.00839 133.8
[M+H-H2O]+ 144.04249 117.5
[M+HCOO]- 206.04343 145.7
[M+CH3COO]- 220.05908 179.4
[M+Na-2H]- 182.01990 131.1
[M]+ 161.04468 122.3
[M]- 161.04578 122.3
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