CID 87211

17648-03-2

Structural Information

Molecular Formula
C14H10O4
SMILES
C1CC(=O)C2=C(C3=CC=CC=C3C(=C2C1=O)O)O
InChI
InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,17-18H,5-6H2
InChIKey
FVXPBEUYCCZFJT-UHFFFAOYSA-N
Compound name
9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

646
Patents

242.0579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 147.9
[M+Na]+ 265.04712 157.9
[M-H]- 241.05062 151.5
[M+NH4]+ 260.09172 166.7
[M+K]+ 281.02106 153.3
[M+H-H2O]+ 225.05516 142.2
[M+HCOO]- 287.05610 165.6
[M+CH3COO]- 301.07175 190.3
[M+Na-2H]- 263.03257 153.8
[M]+ 242.05735 147.0
[M]- 242.05845 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe