CID 688026

20595-45-3

Structural Information

Molecular Formula
C9H6Cl2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)O
InChI
InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey
MEBWABJHRAYGFW-DUXPYHPUSA-N
Compound name
(E)-3-(2,4-dichlorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1869
Patents

215.97449 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.981766 138.5
[M+Na]+ 238.963708 148.9
[M-H]- 214.967214 140.7
[M+NH4]+ 234.008313 158.1
[M+K]+ 254.937648 142.9
[M+H-H2O]+ 198.971750 135.4
[M+HCOO]- 260.972691 151.9
[M+CH3COO]- 274.988341 182.1
[M+Na-2H]- 236.949156 142.6
[M]+ 215.97394142 141.2
[M]- 215.97503858 141.2
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

No patent data available for this compound.