CID 55253114

3,5-dichloro-4-(hydroxymethyl)phenol

Structural Information

Molecular Formula

C₇H₆Cl₂O₂

SMILES

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

InChI

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

InChIKey

BSGDGPHCFWORGF-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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	132.1
[M+Na]+	214.96371	146.9
[M+NH4]+	210.00831	141.1
[M+K]+	230.93765	140.0
[M-H]-	190.96721	133.6
[M+Na-2H]-	212.94916	138.8
[M]+	191.97394	135.2
[M]-	191.97504	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe