CID 12

1,2,3,5-benzenetetrol

Structural Information

Molecular Formula

C₆H₆O₄

SMILES

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

InChI

InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H

InChIKey

RDJUHLUBPADHNP-UHFFFAOYSA-N

Compound name

benzene-1,2,3,5-tetrol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1066
Patents: 142.02661 Da
Monoisotopic Mass: 0.8
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]+	143.03389	123.7
[M+Na]+	165.01583	133.3
[M-H]-	141.01933	123.3
[M+NH4]+	160.06043	143.2
[M+K]+	180.98977	130.7
[M+H-H2O]+	125.02387	119.6
[M+HCOO]-	187.02481	144.1
[M+CH3COO]-	201.04046	163.9
[M+Na-2H]-	163.00128	129.4
[M]+	142.02606	122.0
[M]-	142.02716	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe