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]+ 198.033656 132.5
[M+Na]+ 220.015598 142.2
[M-H]- 196.019104 128.7
[M+NH4]+ 215.060203 150.5
[M+K]+ 235.989538 139.4
[M+H-H2O]+ 180.023640 122.4
[M+HCOO]- 242.024581 148.4
[M+CH3COO]- 256.040231 183.8
[M+Na-2H]- 218.001046 137.5
[M]+ 197.02583142 125.3
[M]- 197.02692858 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.