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

51
Patents

240.96973 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.97701 149.3
[M+Na]+ 263.95895 161.3
[M-H]- 239.96245 151.5
[M+NH4]+ 259.00355 166.0
[M+K]+ 279.93289 154.6
[M+H-H2O]+ 223.96699 139.7
[M+HCOO]- 285.96793 159.2
[M+CH3COO]- 299.98358 198.6
[M+Na-2H]- 261.94440 151.4
[M]+ 240.96918 146.6
[M]- 240.97028 146.6
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