CID 165804341

2825011-00-3

Structural Information

Molecular Formula

C₆H₈F₂N₂

SMILES

C1C(CC1(F)F)(CC#N)N

InChI

InChI=1S/C6H8F2N2/c7-6(8)3-5(10,4-6)1-2-9/h1,3-4,10H2

InChIKey

WCJXYDLNQVDIDZ-UHFFFAOYSA-N

Compound name

2-(1-amino-3,3-difluorocyclobutyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.06555 Da
Monoisotopic Mass: 0.6
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]+	147.07283	123.7
[M+Na]+	169.05477	132.9
[M-H]-	145.05827	125.5
[M+NH4]+	164.09937	140.4
[M+K]+	185.02871	134.2
[M+H-H2O]+	129.06281	108.9
[M+HCOO]-	191.06375	141.2
[M+CH3COO]-	205.07940	192.1
[M+Na-2H]-	167.04022	130.1
[M]+	146.06500	122.7
[M]-	146.06610	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe