CID 22015367

3-chloro-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₆Cl₂O₃S

SMILES

COC1=C(C=CC=C1Cl)S(=O)(=O)Cl

InChI

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

InChIKey

UFESGJFEJHJCON-UHFFFAOYSA-N

Compound name

3-chloro-2-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 239.94147 Da
Monoisotopic Mass: 2.5
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	146.6
[M+Na]+	262.93069	160.5
[M+NH4]+	257.97529	155.1
[M+K]+	278.90463	152.2
[M-H]-	238.93419	147.5
[M+Na-2H]-	260.91614	152.6
[M]+	239.94092	150.0
[M]-	239.94202	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe