CID 7014934

20595-47-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.97449 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98177 138.5
[M+Na]+ 238.96371 148.9
[M-H]- 214.96721 140.7
[M+NH4]+ 234.00831 158.1
[M+K]+ 254.93765 142.9
[M+H-H2O]+ 198.97175 135.4
[M+HCOO]- 260.97269 151.9
[M+CH3COO]- 274.98834 182.1
[M+Na-2H]- 236.94916 142.6
[M]+ 215.97394 141.2
[M]- 215.97504 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

patents stripe