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 159.2
[M+Na]+ 307.05770 168.7
[M-H]- 283.06120 162.7
[M+NH4]+ 302.10230 176.1
[M+K]+ 323.03164 164.9
[M+H-H2O]+ 267.06574 152.9
[M+HCOO]- 329.06668 176.7
[M+CH3COO]- 343.08233 198.5
[M+Na-2H]- 305.04315 163.8
[M]+ 284.06793 161.1
[M]- 284.06903 161.1
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