CID 363422

Nsc628333

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=CC(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O)C
InChI
InChI=1S/C16H12O4/c1-7-5-8(2)12-9(6-7)15(19)13-10(17)3-4-11(18)14(13)16(12)20/h3-6,17-18H,1-2H3
InChIKey
KIYYPDMRSMUBNZ-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-1,3-dimethylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07355 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.9
[M+Na]+ 291.06277 167.7
[M-H]- 267.06627 160.3
[M+NH4]+ 286.10737 174.3
[M+K]+ 307.03671 162.9
[M+H-H2O]+ 251.07081 150.2
[M+HCOO]- 313.07175 174.2
[M+CH3COO]- 327.08740 198.6
[M+Na-2H]- 289.04822 160.3
[M]+ 268.07300 157.9
[M]- 268.07410 157.9
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.