CID 5884447

70374-06-0

Structural Information

Molecular Formula
C16H10Cl2O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2O3/c17-12-4-3-11(8-13(12)18)14(19)5-1-10-2-6-15-16(7-10)21-9-20-15/h1-8H,9H2/b5-1+
InChIKey
KCLBODQDAWQYPQ-ORCRQEGFSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(3,4-dichlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.0007 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00798 171.6
[M+Na]+ 342.98992 182.0
[M-H]- 318.99342 180.0
[M+NH4]+ 338.03452 187.5
[M+K]+ 358.96386 177.3
[M+H-H2O]+ 302.99796 166.4
[M+HCOO]- 364.99890 182.7
[M+CH3COO]- 379.01455 183.8
[M+Na-2H]- 340.97537 174.5
[M]+ 320.00015 177.5
[M]- 320.00125 177.5
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

patents stripe