CID 57115456

1,3-difluoropropan-2-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C4H5F5O3S
SMILES
C(C(CF)OS(=O)(=O)C(F)(F)F)F
InChI
InChI=1S/C4H5F5O3S/c5-1-3(2-6)12-13(10,11)4(7,8)9/h3H,1-2H2
InChIKey
UNANSYRDXKYFLZ-UHFFFAOYSA-N
Compound name
1,3-difluoropropan-2-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

227.98796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.995236 135.1
[M+Na]+ 250.977178 143.9
[M-H]- 226.980684 129.3
[M+NH4]+ 246.021783 153.3
[M+K]+ 266.951118 142.5
[M+H-H2O]+ 210.985220 126.5
[M+HCOO]- 272.986161 145.8
[M+CH3COO]- 287.001811 184.2
[M+Na-2H]- 248.962626 137.5
[M]+ 227.98741142 132.6
[M]- 227.98850858 132.6
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

patents stripe