CID 33767

9,9-fluorenedipropionic acid, diethyl ester

Structural Information

Molecular Formula
C23H26O4
SMILES
CCOC(=O)CCC1(C2=CC=CC=C2C3=CC=CC=C31)CCC(=O)OCC
InChI
InChI=1S/C23H26O4/c1-3-26-21(24)13-15-23(16-14-22(25)27-4-2)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12H,3-4,13-16H2,1-2H3
InChIKey
YIXZOKLYUUEIEW-UHFFFAOYSA-N
Compound name
ethyl 3-[9-(3-ethoxy-3-oxopropyl)fluoren-9-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

366.1831 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19038 192.5
[M+Na]+ 389.17232 198.9
[M-H]- 365.17582 197.2
[M+NH4]+ 384.21692 210.6
[M+K]+ 405.14626 194.6
[M+H-H2O]+ 349.18036 185.3
[M+HCOO]- 411.18130 211.7
[M+CH3COO]- 425.19695 216.8
[M+Na-2H]- 387.15777 194.1
[M]+ 366.18255 199.3
[M]- 366.18365 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe