CID 506561

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

Structural Information

Molecular Formula
C15H17BrO2
SMILES
CCCCCC1C=C(C(=O)O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H17BrO2/c1-2-3-4-5-13-10-14(15(17)18-13)11-6-8-12(16)9-7-11/h6-10,13H,2-5H2,1H3
InChIKey
ABSFWRAARLSMJT-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2-pentyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0412 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04848 166.7
[M+Na]+ 331.03042 177.9
[M-H]- 307.03392 176.4
[M+NH4]+ 326.07502 186.1
[M+K]+ 347.00436 167.2
[M+H-H2O]+ 291.03846 166.4
[M+HCOO]- 353.03940 187.2
[M+CH3COO]- 367.05505 201.1
[M+Na-2H]- 329.01587 170.2
[M]+ 308.04065 187.8
[M]- 308.04175 187.8
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.