CID 6449363

135160-33-7

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: 2
Patents: 254.0943 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.101576	158.2
[M+Na]+	277.083518	165.7
[M-H]-	253.087024	164.1
[M+NH4]+	272.128123	175.1
[M+K]+	293.057458	161.0
[M+H-H2O]+	237.091560	152.0
[M+HCOO]-	299.092501	180.4
[M+CH3COO]-	313.108151	188.9
[M+Na-2H]-	275.068966	160.8
[M]+	254.09375142	158.2
[M]-	254.09484858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe