CID 440370

30048-34-1

Structural Information

Molecular Formula

C₁₄H₁₀O₈

SMILES

C1=CC(=C(C=C1C(=O)OC2=CC(=CC(=C2C(=O)O)O)O)O)O

InChI

InChI=1S/C14H10O8/c15-7-4-10(18)12(13(19)20)11(5-7)22-14(21)6-1-2-8(16)9(17)3-6/h1-5,15-18H,(H,19,20)

InChIKey

GRXIELRCPYIEQI-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxybenzoyl)oxy-4,6-dihydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 12
Patents: 306.03757 Da
Monoisotopic Mass: 2.0
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]+	307.04485	161.8
[M+Na]+	329.02679	169.5
[M-H]-	305.03029	163.2
[M+NH4]+	324.07139	173.1
[M+K]+	345.00073	167.1
[M+H-H2O]+	289.03483	155.1
[M+HCOO]-	351.03577	178.3
[M+CH3COO]-	365.05142	194.2
[M+Na-2H]-	327.01224	162.0
[M]+	306.03702	162.5
[M]-	306.03812	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe