CID 5727298

304896-46-6

Structural Information

Molecular Formula
C19H12Cl2O2
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H12Cl2O2/c20-15-6-4-13(5-7-15)18(22)10-8-17-9-11-19(23-17)14-2-1-3-16(21)12-14/h1-12H/b10-8+
InChIKey
VYNQKZRNEQFWIY-CSKARUKUSA-N
Compound name
(E)-1-(4-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.02142 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.02870 179.5
[M+Na]+ 365.01064 189.6
[M-H]- 341.01414 189.4
[M+NH4]+ 360.05524 194.5
[M+K]+ 380.98458 182.5
[M+H-H2O]+ 325.01868 172.6
[M+HCOO]- 387.01962 193.3
[M+CH3COO]- 401.03527 191.3
[M+Na-2H]- 362.99609 180.2
[M]+ 342.02087 184.6
[M]- 342.02197 184.6
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.