CID 2777121

175277-89-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 134.0
[M+Na]+ 225.02462 144.4
[M-H]- 201.02812 132.2
[M+NH4]+ 220.06922 149.8
[M+K]+ 240.99856 142.0
[M+H-H2O]+ 185.03266 118.7
[M+HCOO]- 247.03360 149.8
[M+CH3COO]- 261.04925 195.3
[M+Na-2H]- 223.01007 140.5
[M]+ 202.03485 126.6
[M]- 202.03595 126.6
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