CID 4089075

4-bromo-5-(4-methoxyphenyl)-2(5h)-furanone

Structural Information

Molecular Formula
C11H9BrO3
SMILES
COC1=CC=C(C=C1)C2C(=CC(=O)O2)Br
InChI
InChI=1S/C11H9BrO3/c1-14-8-4-2-7(3-5-8)11-9(12)6-10(13)15-11/h2-6,11H,1H3
InChIKey
ZBZWVGNHJHDIEH-UHFFFAOYSA-N
Compound name
3-bromo-2-(4-methoxyphenyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

267.9735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.980776 150.3
[M+Na]+ 290.962718 163.1
[M-H]- 266.966224 160.9
[M+NH4]+ 286.007323 171.3
[M+K]+ 306.936658 153.8
[M+H-H2O]+ 250.970760 150.7
[M+HCOO]- 312.971701 172.5
[M+CH3COO]- 326.987351 191.8
[M+Na-2H]- 288.948166 156.2
[M]+ 267.97295142 171.6
[M]- 267.97404858 171.6
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

patents stripe