CID 4179424

1,4-dichloroanthraquinone

Structural Information

Molecular Formula
C14H6Cl2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl
InChI
InChI=1S/C14H6Cl2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H
InChIKey
CAHGWVAXFJXDNI-UHFFFAOYSA-N
Compound name
1,4-dichloroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

275.9745 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98178 153.1
[M+Na]+ 298.96372 166.4
[M-H]- 274.96722 158.7
[M+NH4]+ 294.00832 173.4
[M+K]+ 314.93766 159.3
[M+H-H2O]+ 258.97176 148.6
[M+HCOO]- 320.97270 165.3
[M+CH3COO]- 334.98835 166.6
[M+Na-2H]- 296.94917 159.2
[M]+ 275.97395 157.8
[M]- 275.97505 157.8
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