CID 21961438

2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C8H5F3N2O
SMILES
C1=CN=C(C=C1C#N)OCC(F)(F)F
InChI
InChI=1S/C8H5F3N2O/c9-8(10,11)5-14-7-3-6(4-12)1-2-13-7/h1-3H,5H2
InChIKey
MZMHDUGIMFIZLK-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

202.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 145.4
[M+Na]+ 225.02462 155.3
[M+NH4]+ 220.06922 147.7
[M+K]+ 240.99856 146.6
[M-H]- 201.02812 135.0
[M+Na-2H]- 223.01007 147.5
[M]+ 202.03485 142.9
[M]- 202.03595 142.9
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