CID 5715261

Cyanodichlorophenylacrylic acid

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₂

SMILES

C1=CC(=C(C=C1Cl)Cl)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C10H5Cl2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H,14,15)/b7-3+

InChIKey

KVTSTCHYBUYVBA-XVNBXDOJSA-N

Compound name

(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 83
Patents: 240.96973 Da
Monoisotopic Mass: 2.3
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]+	241.977006	149.3
[M+Na]+	263.958948	161.3
[M-H]-	239.962454	151.5
[M+NH4]+	259.003553	166.0
[M+K]+	279.932888	154.6
[M+H-H2O]+	223.966990	139.7
[M+HCOO]-	285.967931	159.2
[M+CH3COO]-	299.983581	198.6
[M+Na-2H]-	261.944396	151.4
[M]+	240.96918142	146.6
[M]-	240.97027858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe