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

102
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

No literature data available for this compound.

Patent stripe

patents stripe