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

326
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 172.7
[M+Na]+ 333.10972 183.7
[M+NH4]+ 328.15432 181.2
[M+K]+ 349.08366 177.3
[M-H]- 309.11322 173.3
[M+Na-2H]- 331.09517 177.0
[M]+ 310.11995 174.4
[M]- 310.12105 174.4
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