CID 17884

1-amino-4-chloroanthracene-9,10-dione

Structural Information

Molecular Formula
C14H8ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Cl)N
InChI
InChI=1S/C14H8ClNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
InChIKey
AWACQBFBMROGQC-UHFFFAOYSA-N
Compound name
1-amino-4-chloroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

169
Patents

257.02435 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03163 151.1
[M+Na]+ 280.01357 167.5
[M+NH4]+ 275.05817 161.1
[M+K]+ 295.98751 158.9
[M-H]- 256.01707 155.6
[M+Na-2H]- 277.99902 158.0
[M]+ 257.02380 155.1
[M]- 257.02490 155.1
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