CID 10955034

Perfluoropicoline

Structural Information

Molecular Formula
C6F7N
SMILES
C1(=C(C(=NC(=C1F)F)C(F)(F)F)F)F
InChI
InChI=1S/C6F7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9
InChIKey
ITXAJJSPSLPJTF-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrafluoro-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

218.9919 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99918 133.0
[M+Na]+ 241.98112 146.2
[M-H]- 217.98462 127.7
[M+NH4]+ 237.02572 150.7
[M+K]+ 257.95506 142.2
[M+H-H2O]+ 201.98916 121.8
[M+HCOO]- 263.99010 147.9
[M+CH3COO]- 278.00575 189.4
[M+Na-2H]- 239.96657 136.3
[M]+ 218.99135 124.5
[M]- 218.99245 124.5
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