CID 927642

Cochliophilin a

Structural Information

Molecular Formula

C₁₆H₁₀O₅

SMILES

C1OC2=C(O1)C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C16H10O5/c17-10-6-11(9-4-2-1-3-5-9)21-12-7-13-16(20-8-19-13)15(18)14(10)12/h1-7,18H,8H2

InChIKey

NJIUXIXNVAHRDW-UHFFFAOYSA-N

Compound name

9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 17
Patents: 282.05283 Da
Monoisotopic Mass: 3.2
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]+	283.06011	157.7
[M+Na]+	305.04205	168.8
[M-H]-	281.04555	168.2
[M+NH4]+	300.08665	173.0
[M+K]+	321.01599	168.1
[M+H-H2O]+	265.05009	151.7
[M+HCOO]-	327.05103	177.1
[M+CH3COO]-	341.06668	171.5
[M+Na-2H]-	303.02750	165.8
[M]+	282.05228	162.6
[M]-	282.05338	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe