CID 1268245

Difurfurylideneacetone

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=COC(=C1)/C=C/C(=O)/C=C/C2=CC=CO2
InChI
InChI=1S/C13H10O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H/b7-5+,8-6+
InChIKey
XOOFLVNFEPIPIW-KQQUZDAGSA-N
Compound name
(1E,4E)-1,5-bis(furan-2-yl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

425
Patents

214.06299 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 146.2
[M+Na]+ 237.05221 158.4
[M+NH4]+ 232.09681 153.6
[M+K]+ 253.02615 156.1
[M-H]- 213.05571 150.8
[M+Na-2H]- 235.03766 152.2
[M]+ 214.06244 149.1
[M]- 214.06354 149.1
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

patents stripe