CID 71299220

3,5-difluoro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2F5N
SMILES
C1=C(C(=C(C=N1)F)C(F)(F)F)F
InChI
InChI=1S/C6H2F5N/c7-3-1-12-2-4(8)5(3)6(9,10)11/h1-2H
InChIKey
IOKAPTOVFHLDBN-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

183.01074 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.018016 127.6
[M+Na]+ 205.999958 138.9
[M-H]- 182.003464 124.3
[M+NH4]+ 201.044563 146.5
[M+K]+ 221.973898 135.9
[M+H-H2O]+ 166.008000 117.8
[M+HCOO]- 228.008941 144.8
[M+CH3COO]- 242.024591 181.1
[M+Na-2H]- 203.985406 133.7
[M]+ 183.01019142 121.0
[M]- 183.01128858 121.0
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