CID 625072

25116-35-2

Structural Information

Molecular Formula
C20H12O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H12O2/c21-19-16-10-3-4-11-17(16)20(22)18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H
InChIKey
RKTHUQXKUDGALL-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

284.08374 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09102 164.4
[M+Na]+ 307.07296 174.5
[M-H]- 283.07646 173.5
[M+NH4]+ 302.11756 184.0
[M+K]+ 323.04690 167.5
[M+H-H2O]+ 267.08100 157.1
[M+HCOO]- 329.08194 186.5
[M+CH3COO]- 343.09759 177.3
[M+Na-2H]- 305.05841 168.5
[M]+ 284.08319 164.5
[M]- 284.08429 164.5
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