CID 84406

68213-99-0

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/c15-13-8-5-4-7(23(17,18)19)6-10(8)14(16)12-9(13)2-1-3-11(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)
InChIKey
VNIFUVUQZVMDER-UHFFFAOYSA-N
Compound name
9,10-dioxoanthracene-1,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
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

No literature data available for this compound.

Patent stripe

patents stripe