CID 3044199

1,3-indandione, 2-(hydroxymethyl)-2-(2-naphthalenyl)-

Structural Information

Molecular Formula
C20H14O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C3(C(=O)C4=CC=CC=C4C3=O)CO
InChI
InChI=1S/C20H14O3/c21-12-20(15-10-9-13-5-1-2-6-14(13)11-15)18(22)16-7-3-4-8-17(16)19(20)23/h1-11,21H,12H2
InChIKey
DGNNJEATLGMFMK-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-naphthalen-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10158 169.5
[M+Na]+ 325.08352 179.8
[M-H]- 301.08702 177.6
[M+NH4]+ 320.12812 189.7
[M+K]+ 341.05746 173.3
[M+H-H2O]+ 285.09156 162.4
[M+HCOO]- 347.09250 190.1
[M+CH3COO]- 361.10815 181.9
[M+Na-2H]- 323.06897 174.4
[M]+ 302.09375 170.4
[M]- 302.09485 170.4
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.