CID 22281976

169677-20-7

Structural Information

Molecular Formula

C₁₁H₁₅ClO₂S

SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C11H15ClO2S/c1-4-11(2,3)9-5-7-10(8-6-9)15(12,13)14/h5-8H,4H2,1-3H3

InChIKey

WLBQFZZPRWQTGR-UHFFFAOYSA-N

Compound name

4-(2-methylbutan-2-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 246.04813 Da
Monoisotopic Mass: 4.2
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]+	247.05541	156.2
[M+Na]+	269.03735	168.7
[M+NH4]+	264.08195	164.4
[M+K]+	285.01129	160.5
[M-H]-	245.04085	156.9
[M+Na-2H]-	267.02280	161.8
[M]+	246.04758	159.1
[M]-	246.04868	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe