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]+ 251.01149 144.0
[M+Na]+ 272.99343 152.1
[M-H]- 248.99693 143.6
[M+NH4]+ 268.03803 162.5
[M+K]+ 288.96737 148.0
[M+H-H2O]+ 233.00147 137.8
[M+HCOO]- 295.00241 149.8
[M+CH3COO]- 309.01806 185.9
[M+Na-2H]- 270.97888 146.1
[M]+ 250.00366 140.4
[M]- 250.00476 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.