CID 162679377

2h-6:2 pfaes

Structural Information

Molecular Formula
C6H3F11O4S
SMILES
C(C(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H3F11O4S/c7-1(2(8)9)3(10,11)4(12,13)21-5(14,15)6(16,17)22(18,19)20/h1-2H,(H,18,19,20)
InChIKey
CKTIYOQFGDQDJI-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,4,4-heptafluorobutoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.95764 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.96492 159.6
[M+Na]+ 402.94686 167.4
[M-H]- 378.95036 145.6
[M+NH4]+ 397.99146 157.6
[M+K]+ 418.92080 165.1
[M+H-H2O]+ 362.95490 147.1
[M+HCOO]- 424.95584 166.6
[M+CH3COO]- 438.97149 210.2
[M+Na-2H]- 400.93231 160.8
[M]+ 379.95709 146.2
[M]- 379.95819 146.2
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.