CID 19034333

5-hydroxy-2,3-dihydro-1h-indene-1,3-dione

Structural Information

Molecular Formula

C₉H₆O₃

SMILES

C1C(=O)C2=C(C1=O)C=C(C=C2)O

InChI

InChI=1S/C9H6O3/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3,10H,4H2

InChIKey

BKBGCIJINOXJAF-UHFFFAOYSA-N

Compound name

5-hydroxyindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 162.0317 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.03898	129.8
[M+Na]+	185.02092	142.1
[M+NH4]+	180.06552	138.5
[M+K]+	200.99486	138.3
[M-H]-	161.02442	131.0
[M+Na-2H]-	183.00637	134.5
[M]+	162.03115	131.7
[M]-	162.03225	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe