CID 66522

83-62-5

Structural Information

Molecular Formula
C14H9NO5S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)O)N
InChI
InChI=1S/C14H9NO5S/c15-12-10(21(18,19)20)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6H,15H2,(H,18,19,20)
InChIKey
PZSHANOBYYVNEX-UHFFFAOYSA-N
Compound name
1-amino-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

243
Patents

303.02014 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02742 162.7
[M+Na]+ 326.00936 175.0
[M+NH4]+ 321.05396 169.6
[M+K]+ 341.98330 168.3
[M-H]- 302.01286 163.9
[M+Na-2H]- 323.99481 166.8
[M]+ 303.01959 165.1
[M]- 303.02069 165.1
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