CID 219592

2,2',4,4'-tetrahydroxybenzil

Structural Information

Molecular Formula

C₁₄H₁₀O₆

SMILES

C1=CC(=C(C=C1O)O)C(=O)C(=O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H

InChIKey

NGWYJYHAFLMHNW-UHFFFAOYSA-N

Compound name

1,2-bis(2,4-dihydroxyphenyl)ethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 274.04773 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]+	275.05501	156.4
[M+Na]+	297.03695	164.2
[M-H]-	273.04045	158.9
[M+NH4]+	292.08155	169.7
[M+K]+	313.01089	160.8
[M+H-H2O]+	257.04499	150.0
[M+HCOO]-	319.04593	174.2
[M+CH3COO]-	333.06158	190.5
[M+Na-2H]-	295.02240	157.6
[M]+	274.04718	155.7
[M]-	274.04828	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe