CID 168509886

Pfsa-sf5-ether

Structural Information

Molecular Formula
C8HF21O4S2
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(OS(F)(F)(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF21O4S2/c9-1(10,2(11,12)4(15,16)6(19,20)8(23,24)34(30,31)32)3(13,14)5(17,18)7(21,22)33-35(25,26,27,28)29/h(H,30,31,32)
InChIKey
JANYWYLVAKINMO-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(pentafluoro-lambda6-sulfanyl)oxyoctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.8981 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.90538 181.8
[M+Na]+ 646.88732 182.6
[M-H]- 622.89082 187.3
[M+NH4]+ 641.93192 191.1
[M+K]+ 662.86126 193.7
[M+H-H2O]+ 606.89536 170.3
[M+HCOO]- 668.89630 198.5
[M+CH3COO]- 682.91195 245.7
[M+Na-2H]- 644.87277 180.1
[M]+ 623.89755 181.8
[M]- 623.89865 181.8
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.