CID 58747013

2,2-difluorobutyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C5H7F5O3S
SMILES
CCC(COS(=O)(=O)C(F)(F)F)(F)F
InChI
InChI=1S/C5H7F5O3S/c1-2-4(6,7)3-13-14(11,12)5(8,9)10/h2-3H2,1H3
InChIKey
HIMHOUQBZOKDSS-UHFFFAOYSA-N
Compound name
2,2-difluorobutyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

242.0036 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01088 164.5
[M+Na]+ 264.99282 167.8
[M+NH4]+ 260.03742 166.3
[M+K]+ 280.96676 163.9
[M-H]- 240.99632 155.3
[M+Na-2H]- 262.97827 162.4
[M]+ 242.00305 162.2
[M]- 242.00415 162.2
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