CID 688026

2,4-dichlorocinnamic acid

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
2
Annotation Hits

3
References

978
Patents

215.97449 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98177 139.9
[M+Na]+ 238.96371 154.2
[M+NH4]+ 234.00831 148.3
[M+K]+ 254.93765 147.0
[M-H]- 214.96721 141.0
[M+Na-2H]- 236.94916 146.3
[M]+ 215.97394 142.8
[M]- 215.97504 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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