CID 131493922

2092821-18-4

Structural Information

Molecular Formula

C₈H₁₂ClF₃O₂S

SMILES

C1CCC(CC1)(CS(=O)(=O)Cl)C(F)(F)F

InChI

InChI=1S/C8H12ClF3O2S/c9-15(13,14)6-7(8(10,11)12)4-2-1-3-5-7/h1-6H2

InChIKey

NWIHNGUXCSUSKN-UHFFFAOYSA-N

Compound name

[1-(trifluoromethyl)cyclohexyl]methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.01987 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]+	265.027146	148.1
[M+Na]+	287.009088	155.6
[M-H]-	263.012594	147.4
[M+NH4]+	282.053693	167.7
[M+K]+	302.983028	151.6
[M+H-H2O]+	247.017130	142.4
[M+HCOO]-	309.018071	153.6
[M+CH3COO]-	323.033721	187.3
[M+Na-2H]-	284.994536	151.9
[M]+	264.01932142	144.8
[M]-	264.02041858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.