CID 8329

117-14-6

Structural Information

Molecular Formula
C14H8O8S2
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)O
InChI
InChI=1S/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)
InChIKey
OZTBHAGJSKTDGM-UHFFFAOYSA-N
Compound name
9,10-dioxoanthracene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

949
Patents

367.96606 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.97334 174.1
[M+Na]+ 390.95528 183.4
[M-H]- 366.95878 176.4
[M+NH4]+ 385.99988 187.1
[M+K]+ 406.92922 178.7
[M+H-H2O]+ 350.96332 169.2
[M+HCOO]- 412.96426 180.8
[M+CH3COO]- 426.97991 205.7
[M+Na-2H]- 388.94073 181.9
[M]+ 367.96551 179.8
[M]- 367.96661 179.8
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