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

331
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

literature stripe

Patent stripe

patents stripe