CID 137949447

2-methyl-2-(2,2,2-trifluoroethoxy)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H10ClF3O3S
SMILES
CC(C)(CS(=O)(=O)Cl)OCC(F)(F)F
InChI
InChI=1S/C6H10ClF3O3S/c1-5(2,4-14(7,11)12)13-3-6(8,9)10/h3-4H2,1-2H3
InChIKey
YQFRRMXZEAPHBZ-UHFFFAOYSA-N
Compound name
2-methyl-2-(2,2,2-trifluoroethoxy)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99913 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00641 144.2
[M+Na]+ 276.98835 153.4
[M-H]- 252.99185 141.4
[M+NH4]+ 272.03295 162.6
[M+K]+ 292.96229 150.3
[M+H-H2O]+ 236.99639 138.7
[M+HCOO]- 298.99733 151.6
[M+CH3COO]- 313.01298 187.9
[M+Na-2H]- 274.97380 148.7
[M]+ 253.99858 146.8
[M]- 253.99968 146.8
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.