CID 69102

Hexahydroxybenzene

Structural Information

Molecular Formula

C₆H₆O₆

SMILES

C1(=C(C(=C(C(=C1O)O)O)O)O)O

InChI

InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H

InChIKey

VWPUAXALDFFXJW-UHFFFAOYSA-N

Compound name

benzene-1,2,3,4,5,6-hexol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1783
Patents: 174.01643 Da
Monoisotopic Mass: -0.2
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]+	175.02371	130.1
[M+Na]+	197.00565	140.1
[M-H]-	173.00915	127.4
[M+NH4]+	192.05025	147.0
[M+K]+	212.97959	137.2
[M+H-H2O]+	157.01369	126.1
[M+HCOO]-	219.01463	147.6
[M+CH3COO]-	233.03028	167.1
[M+Na-2H]-	194.99110	133.3
[M]+	174.01588	128.4
[M]-	174.01698	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe