CID 164812

1323-87-1

Structural Information

Molecular Formula
C14H8Cl2N2O5S
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=C(C(=C3N)Cl)Cl)N
InChI
InChI=1S/C14H8Cl2N2O5S/c15-9-10(16)12(18)8-7(11(9)17)13(19)4-2-1-3-5(24(21,22)23)6(4)14(8)20/h1-3H,17-18H2,(H,21,22,23)
InChIKey
WVWSLCJRULYUMP-UHFFFAOYSA-N
Compound name
5,8-diamino-6,7-dichloro-9,10-dioxoanthracene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

385.9531 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.96038 180.5
[M+Na]+ 408.94232 193.5
[M+NH4]+ 403.98692 187.0
[M+K]+ 424.91626 186.3
[M-H]- 384.94582 181.8
[M+Na-2H]- 406.92777 183.1
[M]+ 385.95255 183.6
[M]- 385.95365 183.6
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