CID 165909626

Methyl 2-trifluoromethanesulfinylacetate

Structural Information

Molecular Formula
C4H5F3O3S
SMILES
COC(=O)CS(=O)C(F)(F)F
InChI
InChI=1S/C4H5F3O3S/c1-10-3(8)2-11(9)4(5,6)7/h2H2,1H3
InChIKey
VLXAYGDYBJKMTA-UHFFFAOYSA-N
Compound name
methyl 2-(trifluoromethylsulfinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99115 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99843 142.1
[M+Na]+ 212.98037 147.7
[M+NH4]+ 208.02497 146.3
[M+K]+ 228.95431 143.5
[M-H]- 188.98387 135.4
[M+Na-2H]- 210.96582 141.6
[M]+ 189.99060 140.8
[M]- 189.99170 140.8
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.