CID 139594536

Opflsa_ii n=6

Structural Information

Molecular Formula
C8HF17O4S
SMILES
C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF17O4S/c9-1(10,2(11,12)4(15,16)8(24,25)30(26,27)28)3(13,14)6(20,21)29-7(22,23)5(17,18)19/h(H,26,27,28)
InChIKey
CICKOEJRSAKYFC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

515.93243 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.93971 162.9
[M+Na]+ 538.92165 165.8
[M-H]- 514.92515 170.3
[M+NH4]+ 533.96625 172.3
[M+K]+ 554.89559 174.3
[M+H-H2O]+ 498.92969 151.0
[M+HCOO]- 560.93063 183.5
[M+CH3COO]- 574.94628 232.3
[M+Na-2H]- 536.90710 161.8
[M]+ 515.93188 164.4
[M]- 515.93298 164.4
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

No patent data available for this compound.