CID 44147115

93894-70-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

499.9375 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.94478 163.8
[M+Na]+ 522.92672 163.8
[M+NH4]+ 517.97132 163.6
[M+K]+ 538.90066 164.0
[M-H]- 498.93022 162.4
[M+Na-2H]- 520.91217 163.9
[M]+ 499.93695 163.4
[M]- 499.93805 163.4
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

patents stripe