CID 4661316

2,3,5,6-tetrafluoro-4-methylpyridine

Structural Information

Molecular Formula
C6H3F4N
SMILES
CC1=C(C(=NC(=C1F)F)F)F
InChI
InChI=1S/C6H3F4N/c1-2-3(7)5(9)11-6(10)4(2)8/h1H3
InChIKey
VMJPFTHPDLREJZ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

165.02016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02744 123.0
[M+Na]+ 188.00938 135.7
[M-H]- 164.01288 121.5
[M+NH4]+ 183.05398 143.3
[M+K]+ 203.98332 132.8
[M+H-H2O]+ 148.01742 114.2
[M+HCOO]- 210.01836 143.0
[M+CH3COO]- 224.03401 180.7
[M+Na-2H]- 185.99483 127.8
[M]+ 165.01961 119.2
[M]- 165.02071 119.2
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.