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

12
Patents

162.0317 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.038976 127.8
[M+Na]+ 185.020918 138.5
[M-H]- 161.024424 132.1
[M+NH4]+ 180.065523 151.3
[M+K]+ 200.994858 135.6
[M+H-H2O]+ 145.028960 123.7
[M+HCOO]- 207.029901 151.2
[M+CH3COO]- 221.045551 174.3
[M+Na-2H]- 183.006366 133.6
[M]+ 162.03115142 128.1
[M]- 162.03224858 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