CID 241196

3,5-dichlorosalicyl alcohol

Structural Information

Molecular Formula

C₇H₆Cl₂O₂

SMILES

C1=C(C=C(C(=C1CO)O)Cl)Cl

InChI

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

InChIKey

DTJNPTWSVJSFRE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 191.97449 Da
Monoisotopic Mass: 2.3
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]+	192.981766	131.3
[M+Na]+	214.963708	142.6
[M-H]-	190.967214	132.7
[M+NH4]+	210.008313	151.6
[M+K]+	230.937648	137.1
[M+H-H2O]+	174.971750	129.0
[M+HCOO]-	236.972691	144.5
[M+CH3COO]-	250.988341	176.3
[M+Na-2H]-	212.949156	136.5
[M]+	191.97394142	133.8
[M]-	191.97503858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe