CID 66484

1,4,5,8-tetrachloroanthraquinone

Structural Information

Molecular Formula
C14H4Cl4O2
SMILES
C1=CC(=C2C(=C1Cl)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl)Cl
InChI
InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H
InChIKey
DUJPMUKIEFLXRE-UHFFFAOYSA-N
Compound name
1,4,5,8-tetrachloroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

203
Patents

343.89655 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.90383 165.9
[M+Na]+ 366.88577 179.8
[M-H]- 342.88927 168.8
[M+NH4]+ 361.93037 183.3
[M+K]+ 382.85971 172.8
[M+H-H2O]+ 326.89381 163.0
[M+HCOO]- 388.89475 167.1
[M+CH3COO]- 402.91040 177.1
[M+Na-2H]- 364.87122 168.0
[M]+ 343.89600 170.7
[M]- 343.89710 170.7
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