CID 155821292

2-fluoro-3-(1,2,2,2-tetrafluoroethyl)pyridine

Structural Information

Molecular Formula
C7H4F5N
SMILES
C1=CC(=C(N=C1)F)C(C(F)(F)F)F
InChI
InChI=1S/C7H4F5N/c8-5(7(10,11)12)4-2-1-3-13-6(4)9/h1-3,5H
InChIKey
WNHIHCLMPSUXII-UHFFFAOYSA-N
Compound name
2-fluoro-3-(1,2,2,2-tetrafluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02638 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03366 132.5
[M+Na]+ 220.01560 142.2
[M-H]- 196.01910 128.7
[M+NH4]+ 215.06020 150.5
[M+K]+ 235.98954 139.4
[M+H-H2O]+ 180.02364 122.4
[M+HCOO]- 242.02458 148.4
[M+CH3COO]- 256.04023 183.8
[M+Na-2H]- 218.00105 137.5
[M]+ 197.02583 125.3
[M]- 197.02693 125.3
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

No patent data available for this compound.