CID 442739

Refchem:1093012

Structural Information

Molecular Formula
C11H8O4
SMILES
CC1=C(C2=C(C(=CC=C2)O)C(=O)C1=O)O
InChI
InChI=1S/C11H8O4/c1-5-9(13)6-3-2-4-7(12)8(6)11(15)10(5)14/h2-4,12-13H,1H3
InChIKey
KILMMLMKSQWMTN-UHFFFAOYSA-N
Compound name
4,8-dihydroxy-3-methylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

90
Patents

204.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 137.5
[M+Na]+ 227.03147 148.6
[M-H]- 203.03497 140.8
[M+NH4]+ 222.07607 157.2
[M+K]+ 243.00541 145.1
[M+H-H2O]+ 187.03951 132.7
[M+HCOO]- 249.04045 158.0
[M+CH3COO]- 263.05610 182.8
[M+Na-2H]- 225.01692 142.8
[M]+ 204.04170 138.3
[M]- 204.04280 138.3
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.