CID 170915267

3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClF3O3S
SMILES
COCC(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C5H8ClF3O3S/c1-12-2-4(5(7,8)9)3-13(6,10)11/h4H,2-3H2,1H3
InChIKey
XJTXMDKXLWMMHX-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98347 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99075 138.6
[M+Na]+ 262.97269 147.7
[M-H]- 238.97619 135.7
[M+NH4]+ 258.01729 157.6
[M+K]+ 278.94663 144.9
[M+H-H2O]+ 222.98073 133.0
[M+HCOO]- 284.98167 146.9
[M+CH3COO]- 298.99732 185.2
[M+Na-2H]- 260.95814 141.5
[M]+ 239.98292 140.9
[M]- 239.98402 140.9
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.