CID 176409

22002-17-1

Structural Information

Molecular Formula

C₇H₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C7H6Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,10-11H,3H2

InChIKey

SQKUSGDAQJJKBT-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 87
Patents: 191.97449 Da
Monoisotopic Mass: 1.9
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]+	192.98177	131.3
[M+Na]+	214.96371	142.6
[M-H]-	190.96721	132.7
[M+NH4]+	210.00831	151.6
[M+K]+	230.93765	137.1
[M+H-H2O]+	174.97175	129.0
[M+HCOO]-	236.97269	144.5
[M+CH3COO]-	250.98834	176.3
[M+Na-2H]-	212.94916	136.5
[M]+	191.97394	133.8
[M]-	191.97504	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe