CID 506549

4-(4-bromo-1-naphthyl)-2-methyl-2h-furan-5-one

Structural Information

Molecular Formula
C15H11BrO2
SMILES
CC1C=C(C(=O)O1)C2=CC=C(C3=CC=CC=C32)Br
InChI
InChI=1S/C15H11BrO2/c1-9-8-13(15(17)18-9)11-6-7-14(16)12-5-3-2-4-10(11)12/h2-9H,1H3
InChIKey
RYVZOYHEQGNOMR-UHFFFAOYSA-N
Compound name
4-(4-bromonaphthalen-1-yl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.99423 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00151 162.7
[M+Na]+ 324.98345 175.9
[M-H]- 300.98695 174.1
[M+NH4]+ 320.02805 183.5
[M+K]+ 340.95739 165.3
[M+H-H2O]+ 284.99149 163.1
[M+HCOO]- 346.99243 183.1
[M+CH3COO]- 361.00808 178.1
[M+Na-2H]- 322.96890 168.1
[M]+ 301.99368 183.1
[M]- 301.99478 183.1
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.