CID 61926440

2416237-45-9

Structural Information

Molecular Formula

C₁₀H₁₀F₂N₂O

SMILES

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

InChI

InChI=1S/C10H10F2N2O/c1-10(14,5-13)6-15-7-2-3-8(11)9(12)4-7/h2-4H,6,14H2,1H3

InChIKey

OARQYBMWGIPPEQ-UHFFFAOYSA-N

Compound name

2-amino-3-(3,4-difluorophenoxy)-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 212.07613 Da
Monoisotopic Mass: 1.2
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]+	213.08341	147.8
[M+Na]+	235.06535	157.6
[M+NH4]+	230.10995	150.8
[M+K]+	251.03929	148.9
[M-H]-	211.06885	139.4
[M+Na-2H]-	233.05080	149.9
[M]+	212.07558	145.9
[M]-	212.07668	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe