CID 200488

1,3-indandione, 2-(2-naphthyl)-

Structural Information

Molecular Formula
C19H12O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H12O2/c20-18-15-7-3-4-8-16(15)19(21)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H
InChIKey
BHWNKMZDGUUSLD-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

272.08374 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09102 160.5
[M+Na]+ 295.07296 170.7
[M-H]- 271.07646 169.8
[M+NH4]+ 290.11756 180.7
[M+K]+ 311.04690 164.6
[M+H-H2O]+ 255.08100 153.3
[M+HCOO]- 317.08194 182.8
[M+CH3COO]- 331.09759 173.8
[M+Na-2H]- 293.05841 165.2
[M]+ 272.08319 161.0
[M]- 272.08429 161.0
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