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

40
Patents

267.9735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 150.3
[M+Na]+ 290.96272 163.1
[M-H]- 266.96622 160.9
[M+NH4]+ 286.00732 171.3
[M+K]+ 306.93666 153.8
[M+H-H2O]+ 250.97076 150.7
[M+HCOO]- 312.97170 172.5
[M+CH3COO]- 326.98735 191.8
[M+Na-2H]- 288.94817 156.2
[M]+ 267.97295 171.6
[M]- 267.97405 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