CID 21962418

163295-77-0

Structural Information

Molecular Formula

C₈H₉ClO₄S₂

SMILES

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

InChI

InChI=1S/C8H9ClO4S2/c1-14(10,11)8-4-2-7(3-5-8)6-15(9,12)13/h2-5H,6H2,1H3

InChIKey

YDCXDGYRWAQPQZ-UHFFFAOYSA-N

Compound name

(4-methylsulfonylphenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 267.96307 Da
Monoisotopic Mass: 1.1
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]+	268.97035	158.5
[M+Na]+	290.95229	169.6
[M+NH4]+	285.99689	165.5
[M+K]+	306.92623	161.2
[M-H]-	266.95579	158.0
[M+Na-2H]-	288.93774	162.5
[M]+	267.96252	161.1
[M]-	267.96362	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe