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]+ 162.052506 126.0
[M+Na]+ 184.034448 136.1
[M-H]- 160.037954 125.0
[M+NH4]+ 179.079053 145.8
[M+K]+ 200.008388 133.8
[M+H-H2O]+ 144.042490 117.5
[M+HCOO]- 206.043431 145.7
[M+CH3COO]- 220.059081 179.4
[M+Na-2H]- 182.019896 131.1
[M]+ 161.04468142 122.3
[M]- 161.04577858 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