CID 506557

4-(4-bromophenyl)-2-ethyl-2h-furan-5-one

Structural Information

Molecular Formula
C12H11BrO2
SMILES
CCC1C=C(C(=O)O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H11BrO2/c1-2-10-7-11(12(14)15-10)8-3-5-9(13)6-4-8/h3-7,10H,2H2,1H3
InChIKey
MXHBDCLDUZZILO-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2-ethyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.99423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00151 152.4
[M+Na]+ 288.98345 164.9
[M-H]- 264.98695 162.8
[M+NH4]+ 284.02805 173.6
[M+K]+ 304.95739 154.9
[M+H-H2O]+ 248.99149 152.8
[M+HCOO]- 310.99243 174.0
[M+CH3COO]- 325.00808 192.7
[M+Na-2H]- 286.96890 157.7
[M]+ 265.99368 172.7
[M]- 265.99478 172.7
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.