CID 139594679

Opflsa_ii n=5

Structural Information

Molecular Formula
C7HF15O4S
SMILES
C(C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChI
InChI=1S/C7HF15O4S/c8-1(9,3(12,13)7(21,22)27(23,24)25)2(10,11)5(17,18)26-6(19,20)4(14,15)16/h(H,23,24,25)
InChIKey
DCUPCIUMEWJEBR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,1,2,2,2-pentafluoroethoxy)pentane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.9356 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.94288 171.6
[M+Na]+ 488.92482 171.5
[M+NH4]+ 483.96942 171.0
[M+K]+ 504.89876 171.1
[M-H]- 464.92832 168.8
[M+Na-2H]- 486.91027 170.8
[M]+ 465.93505 170.7
[M]- 465.93615 170.7
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.