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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03898 127.8
[M+Na]+ 185.02092 138.5
[M-H]- 161.02442 132.1
[M+NH4]+ 180.06552 151.3
[M+K]+ 200.99486 135.6
[M+H-H2O]+ 145.02896 123.7
[M+HCOO]- 207.02990 151.2
[M+CH3COO]- 221.04555 174.3
[M+Na-2H]- 183.00637 133.6
[M]+ 162.03115 128.1
[M]- 162.03225 128.1
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