CID 162396528

Dtxsid001032418

Structural Information

Molecular Formula
C5HF11O3S
SMILES
C(C(OC(C(F)(F)S(=O)O)(F)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C5HF11O3S/c6-1(7,2(8,9)10)3(11,12)19-4(13,14)5(15,16)20(17)18/h(H,17,18)
InChIKey
DDBJSDOSFQDTIV-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

349.94708 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.95436 155.1
[M+Na]+ 372.93630 163.5
[M-H]- 348.93980 141.1
[M+NH4]+ 367.98090 166.6
[M+K]+ 388.91024 160.9
[M+H-H2O]+ 332.94434 142.5
[M+HCOO]- 394.94528 153.3
[M+CH3COO]- 408.96093 205.1
[M+Na-2H]- 370.92175 157.0
[M]+ 349.94653 141.0
[M]- 349.94763 141.0
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.