CID 60675

10-acetyldithranol

Structural Information

Molecular Formula
C16H12O5
SMILES
CC(=O)OC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
InChI
InChI=1S/C16H12O5/c1-8(17)21-16-9-4-2-6-11(18)13(9)15(20)14-10(16)5-3-7-12(14)19/h2-7,16,18-19H,1H3
InChIKey
RVNNHFOSBVBNIE-UHFFFAOYSA-N
Compound name
(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

284.06848 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 160.6
[M+Na]+ 307.05770 174.4
[M+NH4]+ 302.10230 168.1
[M+K]+ 323.03164 168.6
[M-H]- 283.06120 162.1
[M+Na-2H]- 305.04315 164.6
[M]+ 284.06793 162.9
[M]- 284.06903 162.9
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

patents stripe