CID 20477

4425-95-0

Structural Information

Molecular Formula
C19H18O4
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C19H18O4/c20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)(H,22,23)
InChIKey
HVIAEALBBMNFIW-UHFFFAOYSA-N
Compound name
3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

298
Patents

310.1205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 173.6
[M+Na]+ 333.10972 180.9
[M-H]- 309.11322 176.3
[M+NH4]+ 328.15432 192.6
[M+K]+ 349.08366 175.8
[M+H-H2O]+ 293.11776 167.9
[M+HCOO]- 355.11870 191.2
[M+CH3COO]- 369.13435 201.6
[M+Na-2H]- 331.09517 176.7
[M]+ 310.11995 175.8
[M]- 310.12105 175.8
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.