CID 132427836

2-ethyl-4,4,4-trifluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H10ClF3O2S
SMILES
CCC(CC(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C6H10ClF3O2S/c1-2-5(3-6(8,9)10)4-13(7,11)12/h5H,2-4H2,1H3
InChIKey
LBSHXYFERNUZIS-UHFFFAOYSA-N
Compound name
2-ethyl-4,4,4-trifluorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.00421 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01149 140.3
[M+Na]+ 260.99343 149.1
[M-H]- 236.99693 137.2
[M+NH4]+ 256.03803 159.3
[M+K]+ 276.96737 145.5
[M+H-H2O]+ 221.00147 134.6
[M+HCOO]- 283.00241 147.9
[M+CH3COO]- 297.01806 186.2
[M+Na-2H]- 258.97888 142.4
[M]+ 238.00366 141.5
[M]- 238.00476 141.5
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.