CID 245474

9-(dimethoxyphosphoryl)-9h-fluorene-1-carboxylic acid

Structural Information

Molecular Formula
C16H15O5P
SMILES
COP(=O)(C1C2=CC=CC=C2C3=C1C(=CC=C3)C(=O)O)OC
InChI
InChI=1S/C16H15O5P/c1-20-22(19,21-2)15-12-7-4-3-6-10(12)11-8-5-9-13(14(11)15)16(17)18/h3-9,15H,1-2H3,(H,17,18)
InChIKey
POYGDCBIKDWMDF-UHFFFAOYSA-N
Compound name
9-dimethoxyphosphoryl-9H-fluorene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0657 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07298 171.4
[M+Na]+ 341.05492 179.6
[M-H]- 317.05842 174.8
[M+NH4]+ 336.09952 189.4
[M+K]+ 357.02886 177.1
[M+H-H2O]+ 301.06296 163.5
[M+HCOO]- 363.06390 195.9
[M+CH3COO]- 377.07955 205.4
[M+Na-2H]- 339.04037 173.4
[M]+ 318.06515 176.8
[M]- 318.06625 176.8
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.