CID 1382

1-hydroxy-2,3-dimethylanthracene-9,10-dione

Structural Information

Molecular Formula
C16H12O3
SMILES
CC1=CC2=C(C(=C1C)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O3/c1-8-7-12-13(14(17)9(8)2)16(19)11-6-4-3-5-10(11)15(12)18/h3-7,17H,1-2H3
InChIKey
GARRKQYRNXWAAS-UHFFFAOYSA-N
Compound name
1-hydroxy-2,3-dimethylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 152.4
[M+Na]+ 275.06786 164.0
[M-H]- 251.07136 157.8
[M+NH4]+ 270.11246 172.0
[M+K]+ 291.04180 159.1
[M+H-H2O]+ 235.07590 146.4
[M+HCOO]- 297.07684 172.2
[M+CH3COO]- 311.09249 197.3
[M+Na-2H]- 273.05331 157.8
[M]+ 252.07809 154.3
[M]- 252.07919 154.3
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