CID 56310

Brn 2657972

Structural Information

Molecular Formula
C13H12Cl2O3
SMILES
C=CCOC1=C(C=C(C=C1Cl)C(=O)OCC=C)Cl
InChI
InChI=1S/C13H12Cl2O3/c1-3-5-17-12-10(14)7-9(8-11(12)15)13(16)18-6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKey
HUNRSLGZDCMRMJ-UHFFFAOYSA-N
Compound name
prop-2-enyl 3,5-dichloro-4-prop-2-enoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.01636 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.02364 157.3
[M+Na]+ 309.00558 167.5
[M-H]- 285.00908 160.6
[M+NH4]+ 304.05018 175.0
[M+K]+ 324.97952 161.5
[M+H-H2O]+ 269.01362 153.2
[M+HCOO]- 331.01456 171.3
[M+CH3COO]- 345.03021 198.7
[M+Na-2H]- 306.99103 159.1
[M]+ 286.01581 164.4
[M]- 286.01691 164.4
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.