CID 2782841

2,3,5-trifluoro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6HF6N
SMILES
C1=C(C(=C(C(=N1)F)F)C(F)(F)F)F
InChI
InChI=1S/C6HF6N/c7-2-1-13-5(9)4(8)3(2)6(10,11)12/h1H
InChIKey
MLFFFTHLIOLZFO-UHFFFAOYSA-N
Compound name
2,3,5-trifluoro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

201.00131 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00859 130.2
[M+Na]+ 223.99053 142.5
[M-H]- 199.99403 125.9
[M+NH4]+ 219.03513 148.6
[M+K]+ 239.96447 139.0
[M+H-H2O]+ 183.99857 119.7
[M+HCOO]- 245.99951 146.3
[M+CH3COO]- 260.01516 185.2
[M+Na-2H]- 221.97598 134.9
[M]+ 201.00076 122.7
[M]- 201.00186 122.7
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