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: 18
Patents: 202.0354 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe