CID 139598276

Me-pfsas(n4)

Structural Information

Molecular Formula
C8HF17O4S
SMILES
C(C(OC(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/C8HF17O4S/c9-1(4(14,15)16,5(17,18)19)6(20,21)29-7(22,23)2(10,11)3(12,13)8(24,25)30(26,27)28/h(H,26,27,28)
InChIKey
ZUOUXWHDAWGKBG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]butane-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 163.3
[M+Na]+ 538.92165 166.2
[M-H]- 514.92515 170.8
[M+NH4]+ 533.96625 172.7
[M+K]+ 554.89559 174.6
[M+H-H2O]+ 498.92969 151.3
[M+HCOO]- 560.93063 183.9
[M+CH3COO]- 574.94628 231.8
[M+Na-2H]- 536.90710 162.1
[M]+ 515.93188 164.7
[M]- 515.93298 164.7
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.