CID 95757136

755-88-4

Structural Information

Molecular Formula
C5H5F7O3S
SMILES
CS(=O)(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H5F7O3S/c1-16(13,14)15-2-3(6,7)4(8,9)5(10,11)12/h2H2,1H3
InChIKey
BIAQIBMKUAWVNN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

277.98477 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99205 145.2
[M+Na]+ 300.97399 154.4
[M-H]- 276.97749 137.1
[M+NH4]+ 296.01859 161.1
[M+K]+ 316.94793 152.4
[M+H-H2O]+ 260.98203 135.5
[M+HCOO]- 322.98297 151.5
[M+CH3COO]- 336.99862 193.4
[M+Na-2H]- 298.95944 149.3
[M]+ 277.98422 139.4
[M]- 277.98532 139.4
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.