CID 23260675

52811-52-6

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)15(18)9-4-3-5-11(17)13(9)16(10)19/h3-7,17H,1-2H3
InChIKey
PAKHOCRENVPSME-UHFFFAOYSA-N
Compound name
5-hydroxy-1-methoxy-3-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.6
[M+Na]+ 291.06277 166.9
[M-H]- 267.06627 160.9
[M+NH4]+ 286.10737 174.3
[M+K]+ 307.03671 162.8
[M+H-H2O]+ 251.07081 149.3
[M+HCOO]- 313.07175 175.5
[M+CH3COO]- 327.08740 199.5
[M+Na-2H]- 289.04822 161.1
[M]+ 268.07300 158.9
[M]- 268.07410 158.9
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.