CID 5168879

63452-62-0

Structural Information

Molecular Formula

C₁₁H₁₅ClO₂S

SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)Cl

InChI

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

InChIKey

OVTOPAMDBHJZNS-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 246.04813 Da
Monoisotopic Mass: 4.0
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	156.5
[M+Na]+	269.03735	169.3
[M+NH4]+	264.08195	164.7
[M+K]+	285.01129	161.4
[M-H]-	245.04085	157.3
[M+Na-2H]-	267.02280	161.9
[M]+	246.04758	159.5
[M]-	246.04868	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe