CID 2782842

2,3,6-trifluoro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6HF6N
SMILES
C1=C(C(=C(N=C1F)F)F)C(F)(F)F
InChI
InChI=1S/C6HF6N/c7-3-1-2(6(10,11)12)4(8)5(9)13-3/h1H
InChIKey
DODFHNWFNCGXOW-UHFFFAOYSA-N
Compound name
2,3,6-trifluoro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

201.00131 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe