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]+ 265.027146 148.6
[M+Na]+ 287.009088 156.2
[M-H]- 263.012594 148.0
[M+NH4]+ 282.053693 166.5
[M+K]+ 302.983028 151.8
[M+H-H2O]+ 247.017130 142.1
[M+HCOO]- 309.018071 154.0
[M+CH3COO]- 323.033721 188.9
[M+Na-2H]- 284.994536 150.2
[M]+ 264.01932142 145.3
[M]- 264.02041858 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.