CID 8322

1-amino-5-chloro-4-hydroxyanthraquinone

Structural Information

Molecular Formula
C14H8ClNO3
SMILES
C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C=CC(=C3C2=O)N)O
InChI
InChI=1S/C14H8ClNO3/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,17H,16H2
InChIKey
QAZNDGDSNIGKLU-UHFFFAOYSA-N
Compound name
1-amino-5-chloro-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

273.01926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.026536 155.2
[M+Na]+ 296.008478 167.6
[M-H]- 272.011984 160.1
[M+NH4]+ 291.053083 174.2
[M+K]+ 311.982418 161.3
[M+H-H2O]+ 256.016520 150.3
[M+HCOO]- 318.017461 171.5
[M+CH3COO]- 332.033111 168.2
[M+Na-2H]- 293.993926 160.5
[M]+ 273.01871142 157.2
[M]- 273.01980858 157.2
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