CID 13710653

71461-97-7

Structural Information

Molecular Formula
C14H8O8S2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C14H8O8S2/c15-12-7-3-1-2-4-8(7)13(16)11-9(12)5-6-10(23(17,18)19)14(11)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)
InChIKey
PTKWYSNDTXDBIZ-UHFFFAOYSA-N
Compound name
9,10-dioxoanthracene-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1429
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 176.8
[M+Na]+ 390.95528 187.2
[M+NH4]+ 385.99988 181.6
[M+K]+ 406.92922 181.0
[M-H]- 366.95878 174.9
[M+Na-2H]- 388.94073 179.1
[M]+ 367.96551 178.5
[M]- 367.96661 178.5
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