CID 58747012

2,2-difluoropropyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C4H5F5O3S
SMILES
CC(COS(=O)(=O)C(F)(F)F)(F)F
InChI
InChI=1S/C4H5F5O3S/c1-3(5,6)2-12-13(10,11)4(7,8)9/h2H2,1H3
InChIKey
PQTXBPSLBYWNRI-UHFFFAOYSA-N
Compound name
2,2-difluoropropyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

227.98796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.995236 135.8
[M+Na]+ 250.977178 145.2
[M-H]- 226.980684 130.3
[M+NH4]+ 246.021783 154.0
[M+K]+ 266.951118 143.7
[M+H-H2O]+ 210.985220 127.7
[M+HCOO]- 272.986161 146.0
[M+CH3COO]- 287.001811 183.9
[M+Na-2H]- 248.962626 140.3
[M]+ 227.98741142 133.2
[M]- 227.98850858 133.2
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