CID 387608

Nsc681617

Structural Information

Molecular Formula

C₁₆H₁₀O₃

SMILES

C1C2=C(C3=CC=CC=C3O1)OC4=CC=CC=C4C2=O

InChI

InChI=1S/C16H10O3/c17-15-10-5-1-4-8-14(10)19-16-11-6-2-3-7-13(11)18-9-12(15)16/h1-8H,9H2

InChIKey

CGVGQDPFDJESPH-UHFFFAOYSA-N

Compound name

6H-chromeno[4,3-b]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 250.06299 Da
Monoisotopic Mass: 2.7
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]+	251.07027	149.3
[M+Na]+	273.05221	160.0
[M-H]-	249.05571	157.5
[M+NH4]+	268.09681	166.9
[M+K]+	289.02615	157.7
[M+H-H2O]+	233.06025	141.6
[M+HCOO]-	295.06119	168.3
[M+CH3COO]-	309.07684	163.0
[M+Na-2H]-	271.03766	161.2
[M]+	250.06244	152.2
[M]-	250.06354	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe