CID 84727800

4,4,4-trifluoro-3,3-dimethylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H10ClF3O2S
SMILES
CC(C)(CCS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H10ClF3O2S/c1-5(2,6(8,9)10)3-4-13(7,11)12/h3-4H2,1-2H3
InChIKey
MNFZSHOTWMHPTM-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3,3-dimethylbutane-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]+ 239.011486 141.1
[M+Na]+ 260.993428 150.5
[M-H]- 236.996934 138.3
[M+NH4]+ 256.038033 160.2
[M+K]+ 276.967368 146.9
[M+H-H2O]+ 221.001470 135.7
[M+HCOO]- 283.002411 148.2
[M+CH3COO]- 297.018061 186.0
[M+Na-2H]- 258.978876 145.3
[M]+ 238.00366142 142.3
[M]- 238.00475858 142.3
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.