CID 19792943

Ophiohayatone c

Structural Information

Molecular Formula

C₁₅H₈O₅

SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)C(=O)O

InChI

InChI=1S/C15H8O5/c16-12-6-10-9(5-11(12)15(19)20)13(17)7-3-1-2-4-8(7)14(10)18/h1-6,16H,(H,19,20)

InChIKey

BLCNBYUENJBFPA-UHFFFAOYSA-N

Compound name

3-hydroxy-9,10-dioxoanthracene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 268.03717 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.044446	152.8
[M+Na]+	291.026388	163.0
[M-H]-	267.029894	156.6
[M+NH4]+	286.070993	170.2
[M+K]+	307.000328	158.8
[M+H-H2O]+	251.034430	146.8
[M+HCOO]-	313.035371	170.9
[M+CH3COO]-	327.051021	195.4
[M+Na-2H]-	289.011836	158.1
[M]+	268.03662142	153.8
[M]-	268.03771858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe