CID 112639781

1564630-86-9

Structural Information

Molecular Formula
C8H12ClF3O2S
SMILES
C1CC(CC(C1)C(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H12ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h6-7H,1-5H2
InChIKey
XQXMCMNDICVDMM-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)cyclohexyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02715 148.6
[M+Na]+ 287.00909 156.2
[M-H]- 263.01259 148.0
[M+NH4]+ 282.05369 166.5
[M+K]+ 302.98303 151.8
[M+H-H2O]+ 247.01713 142.1
[M+HCOO]- 309.01807 154.0
[M+CH3COO]- 323.03372 188.9
[M+Na-2H]- 284.99454 150.2
[M]+ 264.01932 145.3
[M]- 264.02042 145.3
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.