CID 3050968

67205-67-8

Structural Information

Molecular Formula

C₁₀H₆F₃N₃

SMILES

CCNC1=C(C(=C(C(=C1F)C#N)F)F)C#N

InChI

InChI=1S/C10H6F3N3/c1-2-16-10-6(4-15)8(12)7(11)5(3-14)9(10)13/h16H,2H2,1H3

InChIKey

ZUHJTCHKKSRDOL-UHFFFAOYSA-N

Compound name

2-(ethylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.05138 Da
Monoisotopic Mass: 2.6
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]+	226.05866	147.6
[M+Na]+	248.04060	158.4
[M-H]-	224.04410	148.8
[M+NH4]+	243.08520	159.7
[M+K]+	264.01454	155.3
[M+H-H2O]+	208.04864	131.4
[M+HCOO]-	270.04958	159.4
[M+CH3COO]-	284.06523	223.5
[M+Na-2H]-	246.02605	148.4
[M]+	225.05083	137.8
[M]-	225.05193	137.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.