CID 2274407

5-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-2-oxoethylidene)-3(2h)-furanone

Structural Information

Molecular Formula
C18H10Cl2O3
SMILES
C1=CC(=CC=C1C2=CC(=O)/C(=C\C(=O)C3=CC=C(C=C3)Cl)/O2)Cl
InChI
InChI=1S/C18H10Cl2O3/c19-13-5-1-11(2-6-13)15(21)9-18-16(22)10-17(23-18)12-3-7-14(20)8-4-12/h1-10H/b18-9+
InChIKey
LAHISJXGABGIKG-GIJQJNRQSA-N
Compound name
(2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0007 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.00798 177.5
[M+Na]+ 366.98992 188.1
[M-H]- 342.99342 187.8
[M+NH4]+ 362.03452 192.6
[M+K]+ 382.96386 181.5
[M+H-H2O]+ 326.99796 171.2
[M+HCOO]- 388.99890 190.7
[M+CH3COO]- 403.01455 189.5
[M+Na-2H]- 364.97537 177.4
[M]+ 344.00015 182.1
[M]- 344.00125 182.1
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.