CID 256087

Diethyl 2-(9h-fluoren-9-yl)malonate

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CCOC(=O)C(C1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OCC

InChI

InChI=1S/C20H20O4/c1-3-23-19(21)18(20(22)24-4-2)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17-18H,3-4H2,1-2H3

InChIKey

ZXUJOWGOAYXFAA-UHFFFAOYSA-N

Compound name

diethyl 2-(9H-fluoren-9-yl)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 324.13617 Da
Monoisotopic Mass: 4.0
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]+	325.143446	178.0
[M+Na]+	347.125388	184.4
[M-H]-	323.128894	183.1
[M+NH4]+	342.169993	195.8
[M+K]+	363.099328	181.3
[M+H-H2O]+	307.133430	171.2
[M+HCOO]-	369.134371	197.3
[M+CH3COO]-	383.150021	209.4
[M+Na-2H]-	345.110836	179.0
[M]+	324.13562142	183.0
[M]-	324.13671858	183.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe