CID 49641

Fluorene-9-carboxylic acid, 2-(4-pyridyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H17NO2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)OCCC4=CC=NC=C4
InChI
InChI=1S/C21H17NO2/c23-21(24-14-11-15-9-12-22-13-10-15)20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12-13,20H,11,14H2
InChIKey
VZSAFPPMGKTNEP-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylethyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 175.0
[M+Na]+ 338.11514 182.7
[M-H]- 314.11864 181.9
[M+NH4]+ 333.15974 191.4
[M+K]+ 354.08908 176.8
[M+H-H2O]+ 298.12318 165.8
[M+HCOO]- 360.12412 195.4
[M+CH3COO]- 374.13977 186.1
[M+Na-2H]- 336.10059 179.6
[M]+ 315.12537 177.1
[M]- 315.12647 177.1
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

No patent data available for this compound.