CID 75406246

4-fluoro-2,6-bis-trifluoromethyl-pyridine

Structural Information

Molecular Formula
C7H2F7N
SMILES
C1=C(C=C(N=C1C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C7H2F7N/c8-3-1-4(6(9,10)11)15-5(2-3)7(12,13)14/h1-2H
InChIKey
ZHYWJGFDWAVKHC-UHFFFAOYSA-N
Compound name
4-fluoro-2,6-bis(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.00755 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01483 138.9
[M+Na]+ 255.99677 150.4
[M-H]- 232.00027 133.2
[M+NH4]+ 251.04137 155.7
[M+K]+ 271.97071 146.6
[M+H-H2O]+ 216.00481 127.6
[M+HCOO]- 278.00575 151.9
[M+CH3COO]- 292.02140 189.9
[M+Na-2H]- 253.98222 143.8
[M]+ 233.00700 129.3
[M]- 233.00810 129.3
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

No patent data available for this compound.