CID 5337166

304896-55-7

Structural Information

Molecular Formula
C20H14Cl2O3
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C20H14Cl2O3/c1-24-14-7-5-13(6-8-14)18(23)11-9-15-10-12-19(25-15)16-3-2-4-17(21)20(16)22/h2-12H,1H3/b11-9+
InChIKey
LKBDOMDZHBNVAL-PKNBQFBNSA-N
Compound name
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.032 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.03928 186.4
[M+Na]+ 395.02122 196.8
[M-H]- 371.02472 196.7
[M+NH4]+ 390.06582 200.5
[M+K]+ 410.99516 190.3
[M+H-H2O]+ 355.02926 179.5
[M+HCOO]- 417.03020 200.1
[M+CH3COO]- 431.04585 212.9
[M+Na-2H]- 393.00667 186.1
[M]+ 372.03145 193.8
[M]- 372.03255 193.8
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.