CID 79314

1-amino-6,7-dichloroanthraquinone

Structural Information

Molecular Formula
C14H7Cl2NO2
SMILES
C1=CC2=C(C(=C1)N)C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl
InChI
InChI=1S/C14H7Cl2NO2/c15-9-4-7-8(5-10(9)16)14(19)12-6(13(7)18)2-1-3-11(12)17/h1-5H,17H2
InChIKey
YFEHGCGWUWOAFA-UHFFFAOYSA-N
Compound name
1-amino-6,7-dichloroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

290.98538 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99266 158.9
[M+Na]+ 313.97460 172.2
[M-H]- 289.97810 164.2
[M+NH4]+ 309.01920 178.3
[M+K]+ 329.94854 164.9
[M+H-H2O]+ 273.98264 154.5
[M+HCOO]- 335.98358 171.5
[M+CH3COO]- 349.99923 171.8
[M+Na-2H]- 311.96005 163.6
[M]+ 290.98483 162.5
[M]- 290.98593 162.5
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