CID 130894193

1806322-60-0

Structural Information

Molecular Formula

C₈H₅F₃N₂O

SMILES

COC1=CC(=C(N=C1)C#N)C(F)(F)F

InChI

InChI=1S/C8H5F3N2O/c1-14-5-2-6(8(9,10)11)7(3-12)13-4-5/h2,4H,1H3

InChIKey

JHIJZHZRNCPKHI-UHFFFAOYSA-N

Compound name

5-methoxy-3-(trifluoromethyl)pyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 202.0354 Da
Monoisotopic Mass: 1.8
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	133.7
[M+Na]+	225.02462	145.0
[M-H]-	201.02812	132.3
[M+NH4]+	220.06922	149.8
[M+K]+	240.99856	142.6
[M+H-H2O]+	185.03266	118.7
[M+HCOO]-	247.03360	149.5
[M+CH3COO]-	261.04925	196.3
[M+Na-2H]-	223.01007	139.6
[M]+	202.03485	126.6
[M]-	202.03595	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe