CID 84725562

3,3,3-trifluoro-2,2-dimethylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClF3O2S
SMILES
CC(C)(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C5H8ClF3O2S/c1-4(2,5(7,8)9)3-12(6,10)11/h3H2,1-2H3
InChIKey
BIWRUWNHWUBKEH-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2,2-dimethylpropane-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 136.5
[M+Na]+ 246.977778 146.2
[M-H]- 222.981284 133.9
[M+NH4]+ 242.022383 156.2
[M+K]+ 262.951718 142.9
[M+H-H2O]+ 206.985820 131.3
[M+HCOO]- 268.986761 143.9
[M+CH3COO]- 283.002411 183.0
[M+Na-2H]- 244.963226 141.1
[M]+ 223.98801142 137.3
[M]- 223.98910858 137.3
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.