CID 145874649

2375270-09-8

Structural Information

Molecular Formula

C₇H₁₀ClF₃O₂S

SMILES

C1CC(CCC1(CS(=O)(=O)Cl)F)(F)F

InChI

InChI=1S/C7H10ClF3O2S/c8-14(12,13)5-6(9)1-3-7(10,11)4-2-6/h1-5H2

InChIKey

YFNTXCLLMIPBOH-UHFFFAOYSA-N

Compound name

(1,4,4-trifluorocyclohexyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.00421 Da
Monoisotopic Mass: 2.5
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]+	251.011486	140.1
[M+Na]+	272.993428	149.2
[M-H]-	248.996934	139.9
[M+NH4]+	268.038033	162.3
[M+K]+	288.967368	145.4
[M+H-H2O]+	233.001470	135.4
[M+HCOO]-	295.002411	147.4
[M+CH3COO]-	309.018061	185.5
[M+Na-2H]-	270.978876	144.5
[M]+	250.00366142	137.8
[M]-	250.00475858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.