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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02715 148.1
[M+Na]+ 287.00909 155.6
[M-H]- 263.01259 147.4
[M+NH4]+ 282.05369 167.7
[M+K]+ 302.98303 151.6
[M+H-H2O]+ 247.01713 142.4
[M+HCOO]- 309.01807 153.6
[M+CH3COO]- 323.03372 187.3
[M+Na-2H]- 284.99454 151.9
[M]+ 264.01932 144.8
[M]- 264.02042 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.