CID 2805999

Ccg-52807

Structural Information

Molecular Formula

C₁₃H₁₃ClFN₃O₂

SMILES

CN(C)/C=C(\C#N)/C(=O)NOCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H13ClFN3O2/c1-18(2)7-9(6-16)13(19)17-20-8-10-11(14)4-3-5-12(10)15/h3-5,7H,8H2,1-2H3,(H,17,19)/b9-7+

InChIKey

FAZHERWXRFEFDQ-VQHVLOKHSA-N

Compound name

(E)-N-[(2-chloro-6-fluorophenyl)methoxy]-2-cyano-3-(dimethylamino)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 297.06802 Da
Monoisotopic Mass: 2.1
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]+	298.075296	166.8
[M+Na]+	320.057238	175.5
[M-H]-	296.060744	169.6
[M+NH4]+	315.101843	181.2
[M+K]+	336.031178	171.8
[M+H-H2O]+	280.065280	153.3
[M+HCOO]-	342.066221	182.6
[M+CH3COO]-	356.081871	218.7
[M+Na-2H]-	318.042686	167.4
[M]+	297.06747142	164.1
[M]-	297.06856858	164.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.