CID 12848472

Nonafluorobutane-1-sulfonoperoxoic acid

Structural Information

Molecular Formula
C4HF9O4S
SMILES
C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4HF9O4S/c5-1(6,3(9,10)11)2(7,8)4(12,13)18(15,16)17-14/h14H
InChIKey
OSCIIPAIQXGYEP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonoperoxoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.