CID 6447062

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

Structural Information

Molecular Formula
C18H10Br2O3
SMILES
C1=CC(=CC=C1C2=CC(=O)/C(=C\C(=O)C3=CC=C(C=C3)Br)/O2)Br
InChI
InChI=1S/C18H10Br2O3/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
FUGLOBZXKRYKDE-GIJQJNRQSA-N
Compound name
(2E)-5-(4-bromophenyl)-2-[2-(4-bromophenyl)-2-oxoethylidene]furan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.89966 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.90694 178.1
[M+Na]+ 454.88888 188.2
[M-H]- 430.89238 190.2
[M+NH4]+ 449.93348 193.1
[M+K]+ 470.86282 174.0
[M+H-H2O]+ 414.89692 185.8
[M+HCOO]- 476.89786 193.2
[M+CH3COO]- 490.91351 220.5
[M+Na-2H]- 452.87433 180.2
[M]+ 431.89911 212.7
[M]- 431.90021 212.7
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.