CID 23271

4,8-dichloroanthrarufin

Structural Information

Molecular Formula
C14H6Cl2O4
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)Cl)Cl
InChI
InChI=1S/C14H6Cl2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H
InChIKey
MVTQMYUSTKVGRP-UHFFFAOYSA-N
Compound name
1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

307.96432 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.97160 157.9
[M+Na]+ 330.95354 171.8
[M-H]- 306.95704 161.8
[M+NH4]+ 325.99814 176.1
[M+K]+ 346.92748 164.9
[M+H-H2O]+ 290.96158 154.6
[M+HCOO]- 352.96252 167.7
[M+CH3COO]- 366.97817 170.6
[M+Na-2H]- 328.93899 162.4
[M]+ 307.96377 163.0
[M]- 307.96487 163.0
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