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]+ 267.001506 152.4
[M+Na]+ 288.983448 164.9
[M-H]- 264.986954 162.8
[M+NH4]+ 284.028053 173.6
[M+K]+ 304.957388 154.9
[M+H-H2O]+ 248.991490 152.8
[M+HCOO]- 310.992431 174.0
[M+CH3COO]- 325.008081 192.7
[M+Na-2H]- 286.968896 157.7
[M]+ 265.99368142 172.7
[M]- 265.99477858 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.