CID 16790478

2-amino-2-(3,4-difluorophenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula

C₈H₆F₂N₂

SMILES

C1=CC(=C(C=C1C(C#N)N)F)F

InChI

InChI=1S/C8H6F2N2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2

InChIKey

ZGIGPLHROHZCPO-UHFFFAOYSA-N

Compound name

2-amino-2-(3,4-difluorophenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 168.04991 Da
Monoisotopic Mass: 1.0
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]+	169.05719	136.6
[M+Na]+	191.03913	147.2
[M+NH4]+	186.08373	140.5
[M+K]+	207.01307	138.1
[M-H]-	167.04263	129.0
[M+Na-2H]-	189.02458	139.4
[M]+	168.04936	135.0
[M]-	168.05046	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe