CID 5761036

918151-23-2

Structural Information

Molecular Formula
C13H8Cl2O2
SMILES
C1=COC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O2/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-8H/b6-4+
InChIKey
AJOIKJBJMCQVSB-GQCTYLIASA-N
Compound name
(E)-1-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

265.99014 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99742 156.9
[M+Na]+ 288.97936 167.3
[M-H]- 264.98286 163.9
[M+NH4]+ 284.02396 175.2
[M+K]+ 304.95330 161.7
[M+H-H2O]+ 248.98740 151.9
[M+HCOO]- 310.98834 171.4
[M+CH3COO]- 325.00399 192.1
[M+Na-2H]- 286.96481 159.7
[M]+ 265.98959 161.7
[M]- 265.99069 161.7
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.