CID 45051257

853349-56-1

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=COC(=C1)/C=C/C(=O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O3/c15-11-4-3-10(13(16)8-11)9-19-14(17)6-5-12-2-1-7-18-12/h1-8H,9H2/b6-5+
InChIKey
KFNLKUQOEIFYHF-AATRIKPKSA-N
Compound name
(2,4-dichlorophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.007976 164.4
[M+Na]+ 318.989918 174.4
[M-H]- 294.993424 171.4
[M+NH4]+ 314.034523 181.6
[M+K]+ 334.963858 169.2
[M+H-H2O]+ 278.997960 159.1
[M+HCOO]- 340.998901 178.8
[M+CH3COO]- 355.014551 196.4
[M+Na-2H]- 316.975366 166.7
[M]+ 296.00015142 171.0
[M]- 296.00124858 171.0
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.