CID 134440

Bindon ethyl ether

Structural Information

Molecular Formula

C₂₀H₁₄O₃

SMILES

CCOC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C41

InChI

InChI=1S/C20H14O3/c1-2-23-17-11-16(12-7-3-4-8-13(12)17)18-19(21)14-9-5-6-10-15(14)20(18)22/h3-11H,2H2,1H3

InChIKey

CBZKWHITHXAHHM-UHFFFAOYSA-N

Compound name

2-(3-ethoxyinden-1-ylidene)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 302.0943 Da
Monoisotopic Mass: 3.7
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]+	303.101576	169.8
[M+Na]+	325.083518	180.5
[M-H]-	301.087024	179.6
[M+NH4]+	320.128123	190.9
[M+K]+	341.057458	174.4
[M+H-H2O]+	285.091560	163.9
[M+HCOO]-	347.092501	192.9
[M+CH3COO]-	361.108151	183.1
[M+Na-2H]-	323.068966	170.6
[M]+	302.09375142	172.7
[M]-	302.09484858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe