CID 6449363

5-hydroxy-4-(6-phenyl-1,3,5-hexatrienyl)-2(5h)-furanone

Structural Information

Molecular Formula
C16H14O3
SMILES
C1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC(=O)OC2O
InChI
InChI=1S/C16H14O3/c17-15-12-14(16(18)19-15)11-7-2-1-4-8-13-9-5-3-6-10-13/h1-12,16,18H/b2-1+,8-4+,11-7+
InChIKey
ASTSPPNXMWCPRE-CDWOPPGASA-N
Compound name
2-hydroxy-3-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 158.2
[M+Na]+ 277.08352 165.7
[M-H]- 253.08702 164.1
[M+NH4]+ 272.12812 175.1
[M+K]+ 293.05746 161.0
[M+H-H2O]+ 237.09156 152.0
[M+HCOO]- 299.09250 180.4
[M+CH3COO]- 313.10815 188.9
[M+Na-2H]- 275.06897 160.8
[M]+ 254.09375 158.2
[M]- 254.09485 158.2
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