CID 3678091

27485-15-0

Structural Information

Molecular Formula
C16H8O6
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)C(=O)O)C(=O)O
InChI
InChI=1S/C16H8O6/c17-13-7-3-1-2-4-8(7)14(18)10-6-12(16(21)22)11(15(19)20)5-9(10)13/h1-6H,(H,19,20)(H,21,22)
InChIKey
PSHVQIKBLXBIQJ-UHFFFAOYSA-N
Compound name
9,10-dioxoanthracene-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

158
Patents

296.03207 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03935 158.3
[M+Na]+ 319.02129 167.7
[M-H]- 295.02479 161.9
[M+NH4]+ 314.06589 174.2
[M+K]+ 334.99523 164.1
[M+H-H2O]+ 279.02933 152.1
[M+HCOO]- 341.03027 175.3
[M+CH3COO]- 355.04592 201.0
[M+Na-2H]- 317.00674 162.1
[M]+ 296.03152 159.8
[M]- 296.03262 159.8
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