CID 17343

Tetrachloroguaiacol

Structural Information

Molecular Formula

C₇H₄Cl₄O₂

SMILES

COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O

InChI

InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3

InChIKey

YZZVKLJKDFFSFL-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrachloro-6-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 43
Patents: 259.89655 Da
Monoisotopic Mass: 4.4
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]+	260.90383	142.7
[M+Na]+	282.88577	155.0
[M-H]-	258.88927	143.0
[M+NH4]+	277.93037	160.7
[M+K]+	298.85971	149.5
[M+H-H2O]+	242.89381	141.6
[M+HCOO]-	304.89475	146.1
[M+CH3COO]-	318.91040	192.9
[M+Na-2H]-	280.87122	144.5
[M]+	259.89600	146.4
[M]-	259.89710	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe