CID 768575

Ethyl 2-cyano-3-(2,4-dichlorophenyl)acrylate

Structural Information

Molecular Formula
C12H9Cl2NO2
SMILES
CCOC(=O)/C(=C/C1=C(C=C(C=C1)Cl)Cl)/C#N
InChI
InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)9(7-15)5-8-3-4-10(13)6-11(8)14/h3-6H,2H2,1H3/b9-5+
InChIKey
HDHAZBAICIKTCX-WEVVVXLNSA-N
Compound name
ethyl (E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

269.00104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00832 156.3
[M+Na]+ 291.99026 168.0
[M-H]- 267.99376 159.4
[M+NH4]+ 287.03486 172.7
[M+K]+ 307.96420 161.5
[M+H-H2O]+ 251.99830 146.0
[M+HCOO]- 313.99924 166.9
[M+CH3COO]- 328.01489 205.5
[M+Na-2H]- 289.97571 157.9
[M]+ 269.00049 155.9
[M]- 269.00159 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe