CID 4301570

74693-31-5

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

CC(=C)C1CC2=C(O1)C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C15H12O3/c1-8(2)12-7-11-14(17)13(16)9-5-3-4-6-10(9)15(11)18-12/h3-6,12H,1,7H2,2H3

InChIKey

JXIGNVDGTOKIJS-UHFFFAOYSA-N

Compound name

2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 240.07864 Da
Monoisotopic Mass: 2.5
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]+	241.08592	150.3
[M+Na]+	263.06786	160.0
[M-H]-	239.07136	156.9
[M+NH4]+	258.11246	170.9
[M+K]+	279.04180	156.9
[M+H-H2O]+	223.07590	145.3
[M+HCOO]-	285.07684	169.6
[M+CH3COO]-	299.09249	194.5
[M+Na-2H]-	261.05331	154.0
[M]+	240.07809	151.5
[M]-	240.07919	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe