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

9
Patents

324.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 178.0
[M+Na]+ 347.12539 184.4
[M-H]- 323.12889 183.1
[M+NH4]+ 342.16999 195.8
[M+K]+ 363.09933 181.3
[M+H-H2O]+ 307.13343 171.2
[M+HCOO]- 369.13437 197.3
[M+CH3COO]- 383.15002 209.4
[M+Na-2H]- 345.11084 179.0
[M]+ 324.13562 183.0
[M]- 324.13672 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe