CID 84725559

4,4,4-trifluoro-2-methylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClF3O2S
SMILES
CC(CC(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C5H8ClF3O2S/c1-4(2-5(7,8)9)3-12(6,10)11/h4H,2-3H2,1H3
InChIKey
URFSKSBXIQVYBA-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-2-methylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98856 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.995836 135.6
[M+Na]+ 246.977778 144.8
[M-H]- 222.981284 132.8
[M+NH4]+ 242.022383 155.3
[M+K]+ 262.951718 141.5
[M+H-H2O]+ 206.985820 130.1
[M+HCOO]- 268.986761 143.6
[M+CH3COO]- 283.002411 183.2
[M+Na-2H]- 244.963226 138.3
[M]+ 223.98801142 136.5
[M]- 223.98910858 136.5
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.