CID 2776108

113507-82-7

Structural Information

Molecular Formula
C4HF9O4S
SMILES
C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChI
InChI=1S/C4HF9O4S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h(H,14,15,16)
InChIKey
RJGUAQKOHAABLK-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

595
Patents

315.9452 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.952476 148.7
[M+Na]+ 338.934418 157.8
[M-H]- 314.937924 137.1
[M+NH4]+ 333.979023 161.8
[M+K]+ 354.908358 155.5
[M+H-H2O]+ 298.942460 137.9
[M+HCOO]- 360.943401 150.5
[M+CH3COO]- 374.959051 196.6
[M+Na-2H]- 336.919866 153.4
[M]+ 315.94465142 138.4
[M]- 315.94574858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe