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 170.3
[M+Na]+ 348.98345 180.8
[M-H]- 324.98695 183.0
[M+NH4]+ 344.02805 188.1
[M+K]+ 364.95739 170.0
[M+H-H2O]+ 308.99149 169.7
[M+HCOO]- 370.99243 190.8
[M+CH3COO]- 385.00808 184.4
[M+Na-2H]- 346.96890 174.1
[M]+ 325.99368 188.0
[M]- 325.99478 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.