CID 64759475

3-(trifluoromethyl)cyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H10ClF3O2S
SMILES
C1CC(CC(C1)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C7H10ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h5-6H,1-4H2
InChIKey
SQPYSHIJUJDRNU-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.00421 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.011486 144.0
[M+Na]+ 272.993428 152.1
[M-H]- 248.996934 143.6
[M+NH4]+ 268.038033 162.5
[M+K]+ 288.967368 148.0
[M+H-H2O]+ 233.001470 137.8
[M+HCOO]- 295.002411 149.8
[M+CH3COO]- 309.018061 185.9
[M+Na-2H]- 270.978876 146.1
[M]+ 250.00366142 140.4
[M]- 250.00475858 140.4
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.