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

134
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

literature stripe

Patent stripe

patents stripe