CID 4356689

3-bromo-5-(diphenylmethylene)furan-2(5h)-one

Structural Information

Molecular Formula
C17H11BrO2
SMILES
C1=CC=C(C=C1)C(=C2C=C(C(=O)O2)Br)C3=CC=CC=C3
InChI
InChI=1S/C17H11BrO2/c18-14-11-15(20-17(14)19)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKey
OEFNJXJOGNUEKG-UHFFFAOYSA-N
Compound name
5-benzhydrylidene-3-bromofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.99423 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.00151 166.0
[M+Na]+ 348.98345 171.3
[M+NH4]+ 344.02805 171.2
[M+K]+ 364.95739 171.2
[M-H]- 324.98695 171.1
[M+Na-2H]- 346.96890 171.8
[M]+ 325.99368 167.2
[M]- 325.99478 167.2
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.