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

64
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 140.4
[M+Na]+ 264.99282 149.4
[M-H]- 240.99632 134.7
[M+NH4]+ 260.03742 158.1
[M+K]+ 280.96676 147.7
[M+H-H2O]+ 225.00086 132.1
[M+HCOO]- 287.00180 150.3
[M+CH3COO]- 301.01745 186.9
[M+Na-2H]- 262.97827 144.4
[M]+ 242.00305 138.2
[M]- 242.00415 138.2
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