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]+ 297.00798 164.4
[M+Na]+ 318.98992 174.4
[M-H]- 294.99342 171.4
[M+NH4]+ 314.03452 181.6
[M+K]+ 334.96386 169.2
[M+H-H2O]+ 278.99796 159.1
[M+HCOO]- 340.99890 178.8
[M+CH3COO]- 355.01455 196.4
[M+Na-2H]- 316.97537 166.7
[M]+ 296.00015 171.0
[M]- 296.00125 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.