CID 75458022

N-(cyanomethyl)-2,2-difluoroacetamide

Structural Information

Molecular Formula

C₄H₄F₂N₂O

SMILES

C(C#N)NC(=O)C(F)F

InChI

InChI=1S/C4H4F2N2O/c5-3(6)4(9)8-2-1-7/h3H,2H2,(H,8,9)

InChIKey

QGPBCNIUUKYCDG-UHFFFAOYSA-N

Compound name

N-(cyanomethyl)-2,2-difluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 134.02917 Da
Monoisotopic Mass: 0.2
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]+	135.03645	120.3
[M+Na]+	157.01839	128.8
[M-H]-	133.02189	118.7
[M+NH4]+	152.06299	139.4
[M+K]+	172.99233	129.0
[M+H-H2O]+	117.02643	107.4
[M+HCOO]-	179.02737	138.8
[M+CH3COO]-	193.04302	187.7
[M+Na-2H]-	155.00384	125.0
[M]+	134.02862	112.2
[M]-	134.02972	112.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.