CID 3434828

3,4-dibromo-5,5-di-p-tolylfuran-2(5h)-one

Structural Information

Molecular Formula
C18H14Br2O2
SMILES
CC1=CC=C(C=C1)C2(C(=C(C(=O)O2)Br)Br)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H14Br2O2/c1-11-3-7-13(8-4-11)18(14-9-5-12(2)6-10-14)16(20)15(19)17(21)22-18/h3-10H,1-2H3
InChIKey
XSKZJFCFNJOLIZ-UHFFFAOYSA-N
Compound name
3,4-dibromo-5,5-bis(4-methylphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.93604 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.94332 174.5
[M+Na]+ 442.92526 186.1
[M-H]- 418.92876 187.2
[M+NH4]+ 437.96986 192.0
[M+K]+ 458.89920 172.1
[M+H-H2O]+ 402.93330 182.9
[M+HCOO]- 464.93424 190.2
[M+CH3COO]- 478.94989 188.1
[M+Na-2H]- 440.91071 178.1
[M]+ 419.93549 210.5
[M]- 419.93659 210.5
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

No patent data available for this compound.