CID 138990971

3,3,4,4-tetrafluorobutyl methanesulfonate

Structural Information

Molecular Formula
C5H8F4O3S
SMILES
CS(=O)(=O)OCCC(C(F)F)(F)F
InChI
InChI=1S/C5H8F4O3S/c1-13(10,11)12-3-2-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKey
WVMHIVSBOQRZFR-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluorobutyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.01303 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02031 137.3
[M+Na]+ 247.00225 145.7
[M-H]- 223.00575 132.7
[M+NH4]+ 242.04685 155.7
[M+K]+ 262.97619 144.3
[M+H-H2O]+ 207.01029 129.5
[M+HCOO]- 269.01123 148.8
[M+CH3COO]- 283.02688 184.9
[M+Na-2H]- 244.98770 139.8
[M]+ 224.01248 136.5
[M]- 224.01358 136.5
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.