CID 101481203

P55dmhps

Structural Information

Molecular Formula
C8HF17O3S
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8HF17O3S/c9-2(10,1(5(15,16)17,6(18,19)20)7(21,22)23)3(11,12)4(13,14)8(24,25)29(26,27)28/h(H,26,27,28)
InChIKey
CTJZQRLCFNWBQL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,6,6,6-undecafluoro-5,5-bis(trifluoromethyl)hexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.9375 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.944776 162.8
[M+Na]+ 522.926718 166.2
[M-H]- 498.930224 169.8
[M+NH4]+ 517.971323 171.6
[M+K]+ 538.900658 174.5
[M+H-H2O]+ 482.934760 150.7
[M+HCOO]- 544.935701 183.6
[M+CH3COO]- 558.951351 229.6
[M+Na-2H]- 520.912166 161.8
[M]+ 499.93695142 164.0
[M]- 499.93804858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.