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]+ 316.95248 148.7
[M+Na]+ 338.93442 157.8
[M-H]- 314.93792 137.1
[M+NH4]+ 333.97902 161.8
[M+K]+ 354.90836 155.5
[M+H-H2O]+ 298.94246 137.9
[M+HCOO]- 360.94340 150.5
[M+CH3COO]- 374.95905 196.6
[M+Na-2H]- 336.91987 153.4
[M]+ 315.94465 138.4
[M]- 315.94575 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.