CID 130095854

1805305-30-9

Structural Information

Molecular Formula

C₈H₆F₂N₂

SMILES

CC1=CC(=CN=C1C(F)F)C#N

InChI

InChI=1S/C8H6F2N2/c1-5-2-6(3-11)4-12-7(5)8(9)10/h2,4,8H,1H3

InChIKey

QMOPCPTXSXSLHG-UHFFFAOYSA-N

Compound name

6-(difluoromethyl)-5-methylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.04991 Da
Monoisotopic Mass: 1.6
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]+	169.05719	136.0
[M+Na]+	191.03913	147.7
[M+NH4]+	186.08373	139.8
[M+K]+	207.01307	138.3
[M-H]-	167.04263	127.7
[M+Na-2H]-	189.02458	139.2
[M]+	168.04936	134.4
[M]-	168.05046	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.