CID 69690

Pentafluoropyridine

Structural Information

Molecular Formula
C5F5N
SMILES
C1(=C(C(=NC(=C1F)F)F)F)F
InChI
InChI=1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
XTGOWLIKIQLYRG-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

1669
Patents

168.99509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00237 121.2
[M+Na]+ 191.98431 134.3
[M-H]- 167.98781 118.4
[M+NH4]+ 187.02891 141.1
[M+K]+ 207.95825 131.1
[M+H-H2O]+ 151.99235 111.6
[M+HCOO]- 213.99329 140.3
[M+CH3COO]- 228.00894 180.7
[M+Na-2H]- 189.96976 125.9
[M]+ 168.99454 115.7
[M]- 168.99564 115.7
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