CID 68111587

5-(trifluoromethoxy)picolinonitrile

Structural Information

Molecular Formula

C₇H₃F₃N₂O

SMILES

C1=CC(=NC=C1OC(F)(F)F)C#N

InChI

InChI=1S/C7H3F3N2O/c8-7(9,10)13-6-2-1-5(3-11)12-4-6/h1-2,4H

InChIKey

DTRQAIRWABWMJN-UHFFFAOYSA-N

Compound name

5-(trifluoromethoxy)pyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 188.01974 Da
Monoisotopic Mass: 2.1
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]+	189.02702	129.9
[M+Na]+	211.00896	140.8
[M-H]-	187.01246	128.3
[M+NH4]+	206.05356	146.2
[M+K]+	226.98290	138.5
[M+H-H2O]+	171.01700	114.8
[M+HCOO]-	233.01794	146.0
[M+CH3COO]-	247.03359	192.6
[M+Na-2H]-	208.99441	136.9
[M]+	188.01919	122.2
[M]-	188.02029	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe