CID 715512

2-[(4-fluorophenyl)amino]-2-methylpropanenitrile

Structural Information

Molecular Formula

C₁₀H₁₁FN₂

SMILES

CC(C)(C#N)NC1=CC=C(C=C1)F

InChI

InChI=1S/C10H11FN2/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,13H,1-2H3

InChIKey

SVDZNKZOOVMIKJ-UHFFFAOYSA-N

Compound name

2-(4-fluoroanilino)-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 178.09062 Da
Monoisotopic Mass: 2.4
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]+	179.09790	141.8
[M+Na]+	201.07984	152.8
[M+NH4]+	196.12444	146.3
[M+K]+	217.05378	143.3
[M-H]-	177.08334	135.5
[M+Na-2H]-	199.06529	145.8
[M]+	178.09007	140.7
[M]-	178.09117	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe