CID 198205

39568-89-3

Structural Information

Molecular Formula

C₈H₆Cl₄O₂

SMILES

C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CO)Cl)O

InChI

InChI=1S/C8H6Cl4O2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/h13-14H,1-2H2

InChIKey

JYLBVCKNJDTYGB-UHFFFAOYSA-N

Compound name

[2,3,4,6-tetrachloro-5-(hydroxymethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 58
Patents: 273.9122 Da
Monoisotopic Mass: 2.7
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]+	274.91948	151.9
[M+Na]+	296.90142	166.6
[M+NH4]+	291.94602	159.9
[M+K]+	312.87536	159.0
[M-H]-	272.90492	152.4
[M+Na-2H]-	294.88687	157.0
[M]+	273.91165	155.2
[M]-	273.91275	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe