CID 2794645

519056-61-2

Structural Information

Molecular Formula

C₁₁H₁₅ClO₂S

SMILES

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

InChI

InChI=1S/C11H15ClO2S/c1-11(2,3)10-6-4-9(5-7-10)8-15(12,13)14/h4-7H,8H2,1-3H3

InChIKey

NEJDUPGGBSPJLG-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 246.04813 Da
Monoisotopic Mass: 3.6
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	151.2
[M+Na]+	269.03735	160.7
[M-H]-	245.04085	155.7
[M+NH4]+	264.08195	170.5
[M+K]+	285.01129	156.2
[M+H-H2O]+	229.04539	147.1
[M+HCOO]-	291.04633	163.1
[M+CH3COO]-	305.06198	188.6
[M+Na-2H]-	267.02280	155.6
[M]+	246.04758	156.7
[M]-	246.04868	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe