CID 2782371

883499-32-9

Structural Information

Molecular Formula
C8H2F16O3S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F16O3S/c9-2(10,3(11,12)6(17,18)19)1-27-28(25,26)8(23,24)5(15,16)4(13,14)7(20,21)22/h1H2
InChIKey
TXGIYYDHRSACPQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

481.94693 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.95421 161.7
[M+Na]+ 504.93615 166.2
[M-H]- 480.93965 167.1
[M+NH4]+ 499.98075 171.3
[M+K]+ 520.91009 173.2
[M+H-H2O]+ 464.94419 151.7
[M+HCOO]- 526.94513 183.6
[M+CH3COO]- 540.96078 229.1
[M+Na-2H]- 502.92160 160.8
[M]+ 481.94638 163.3
[M]- 481.94748 163.3
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

patents stripe