CID 596964

Ethyl 9h-fluorene-9-carboxylate

Structural Information

Molecular Formula
C16H14O2
SMILES
CCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C16H14O2/c1-2-18-16(17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,2H2,1H3
InChIKey
DAOQKFHSVVIUKC-UHFFFAOYSA-N
Compound name
ethyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

238.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 153.4
[M+Na]+ 261.088598 162.3
[M-H]- 237.092104 159.1
[M+NH4]+ 256.133203 175.1
[M+K]+ 277.062538 158.2
[M+H-H2O]+ 221.096640 147.3
[M+HCOO]- 283.097581 175.7
[M+CH3COO]- 297.113231 166.7
[M+Na-2H]- 259.074046 158.7
[M]+ 238.09883142 156.2
[M]- 238.09992858 156.2
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