CID 368089

60117-49-9

Structural Information

Molecular Formula
C17H11NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=CNC4=CC=CC=C43)O
InChI
InChI=1S/C17H11NO3/c19-15-10-5-1-2-6-11(10)16(20)17(15,21)13-9-18-14-8-4-3-7-12(13)14/h1-9,18,21H
InChIKey
RROGHTXKVLKJMG-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(1H-indol-3-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.07388 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08116 161.1
[M+Na]+ 300.06310 173.1
[M-H]- 276.06660 167.7
[M+NH4]+ 295.10770 182.4
[M+K]+ 316.03704 166.4
[M+H-H2O]+ 260.07114 155.1
[M+HCOO]- 322.07208 182.3
[M+CH3COO]- 336.08773 174.2
[M+Na-2H]- 298.04855 165.4
[M]+ 277.07333 162.2
[M]- 277.07443 162.2
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.