CID 695062

304896-35-3

Structural Information

Molecular Formula

C₁₄H₈Cl₂N₂O₂

SMILES

C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C14H8Cl2N2O2/c15-11-3-1-2-10(13(11)16)12-5-4-9(20-12)6-8(7-17)14(18)19/h1-6H,(H2,18,19)/b8-6+

InChIKey

ULJYZLXJKSLSRQ-SOFGYWHQSA-N

Compound name

(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.99628 Da
Monoisotopic Mass: 3.2
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]+	307.003556	175.0
[M+Na]+	328.985498	187.0
[M-H]-	304.989004	180.3
[M+NH4]+	324.030103	189.4
[M+K]+	344.959438	179.6
[M+H-H2O]+	288.993540	163.0
[M+HCOO]-	350.994481	185.8
[M+CH3COO]-	365.010131	212.5
[M+Na-2H]-	326.970946	174.1
[M]+	305.99573142	172.8
[M]-	305.99682858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.