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

literature stripe

Patent stripe

patents stripe