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]+ 239.01149 141.1
[M+Na]+ 260.99343 150.5
[M-H]- 236.99693 138.3
[M+NH4]+ 256.03803 160.2
[M+K]+ 276.96737 146.9
[M+H-H2O]+ 221.00147 135.7
[M+HCOO]- 283.00241 148.2
[M+CH3COO]- 297.01806 186.0
[M+Na-2H]- 258.97888 145.3
[M]+ 238.00366 142.3
[M]- 238.00476 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.