CID 84803979

1452184-05-2

Structural Information

Molecular Formula

C₁₀H₁₂ClFO₂S

SMILES

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

InChI

InChI=1S/C10H12ClFO2S/c1-10(2,3)8-5-4-7(6-9(8)12)15(11,13)14/h4-6H,1-3H3

InChIKey

XKTPCKATYCBMAZ-UHFFFAOYSA-N

Compound name

4-tert-butyl-3-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 250.02306 Da
Monoisotopic Mass: 3.7
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]+	251.03034	147.7
[M+Na]+	273.01228	158.5
[M-H]-	249.01578	151.3
[M+NH4]+	268.05688	167.1
[M+K]+	288.98622	153.9
[M+H-H2O]+	233.02032	143.0
[M+HCOO]-	295.02126	158.9
[M+CH3COO]-	309.03691	189.4
[M+Na-2H]-	270.99773	151.5
[M]+	250.02251	152.1
[M]-	250.02361	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe