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

literature stripe

Patent stripe

patents stripe