CID 2760653

2-p-tolylethanesulfonyl chloride

Structural Information

Molecular Formula

C₉H₁₁ClO₂S

SMILES

CC1=CC=C(C=C1)CCS(=O)(=O)Cl

InChI

InChI=1S/C9H11ClO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3

InChIKey

KHGAWSFTMGXQID-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 218.01683 Da
Monoisotopic Mass: 2.7
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]+	219.02411	145.2
[M+Na]+	241.00605	158.5
[M+NH4]+	236.05065	154.1
[M+K]+	256.97999	149.7
[M-H]-	217.00955	146.7
[M+Na-2H]-	238.99150	151.5
[M]+	218.01628	148.4
[M]-	218.01738	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe