CID 735866

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

Structural Information

Molecular Formula

C₇H₆Cl₂O₃S

SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)Cl)O)Cl

InChI

InChI=1S/C7H6Cl2O3S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3

InChIKey

CTBGNTCBLZAIRI-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-methylsulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 239.94147 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]+	240.94875	147.1
[M+Na]+	262.93069	160.8
[M+NH4]+	257.97529	155.2
[M+K]+	278.90463	153.0
[M-H]-	238.93419	147.5
[M+Na-2H]-	260.91614	152.2
[M]+	239.94092	150.2
[M]-	239.94202	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe