CID 266877

2-(9h-fluoren-2-ylmethyl)benzoic acid

Structural Information

Molecular Formula
C21H16O2
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)CC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C21H16O2/c22-21(23)20-8-4-2-5-15(20)11-14-9-10-19-17(12-14)13-16-6-1-3-7-18(16)19/h1-10,12H,11,13H2,(H,22,23)
InChIKey
OSBNLUVXTWOMPP-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-2-ylmethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.11502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 170.4
[M+Na]+ 323.10424 186.2
[M+NH4]+ 318.14884 180.4
[M+K]+ 339.07818 178.7
[M-H]- 299.10774 176.1
[M+Na-2H]- 321.08969 178.6
[M]+ 300.11447 174.5
[M]- 300.11557 174.5
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

patents stripe