CID 10187

1,8,9-trihydroxyanthracene

Structural Information

Molecular Formula
C14H10O3
SMILES
C1=CC2=CC3=C(C(=CC=C3)O)C(=C2C(=C1)O)O
InChI
InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
InChIKey
YUTJCNNFTOIOGT-UHFFFAOYSA-N
Compound name
anthracene-1,8,9-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1009
References

9607
Patents

226.06299 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07027 144.9
[M+Na]+ 249.05221 156.2
[M-H]- 225.05571 147.9
[M+NH4]+ 244.09681 163.9
[M+K]+ 265.02615 150.8
[M+H-H2O]+ 209.06025 139.3
[M+HCOO]- 271.06119 164.9
[M+CH3COO]- 285.07684 158.1
[M+Na-2H]- 247.03766 153.8
[M]+ 226.06244 146.0
[M]- 226.06354 146.0
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