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]+ 224.99584 136.5
[M+Na]+ 246.97778 146.2
[M-H]- 222.98128 133.9
[M+NH4]+ 242.02238 156.2
[M+K]+ 262.95172 142.9
[M+H-H2O]+ 206.98582 131.3
[M+HCOO]- 268.98676 143.9
[M+CH3COO]- 283.00241 183.0
[M+Na-2H]- 244.96323 141.1
[M]+ 223.98801 137.3
[M]- 223.98911 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.