CID 45790560

2,3-difluoro-6-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2F5N
SMILES
C1=CC(=NC(=C1F)F)C(F)(F)F
InChI
InChI=1S/C6H2F5N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
InChIKey
RMLBNMVDMAZSKR-UHFFFAOYSA-N
Compound name
2,3-difluoro-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.01074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01802 146.1
[M+Na]+ 205.99996 153.8
[M+NH4]+ 201.04456 150.1
[M+K]+ 221.97390 149.0
[M-H]- 182.00346 140.8
[M+Na-2H]- 203.98541 148.9
[M]+ 183.01019 145.3
[M]- 183.01129 145.3
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