CID 57208500

Dtxsid501032887

Structural Information

Molecular Formula
C8H2F16N2O4S2
SMILES
C1(C(N(C(C(N1C(C(F)(F)S(=O)O)(F)F)(F)F)(F)F)C(C(F)(F)S(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F16N2O4S2/c9-1(10)2(11,12)26(6(19,20)8(23,24)32(29)30)4(15,16)3(13,14)25(1)5(17,18)7(21,22)31(27)28/h(H,27,28)(H,29,30)
InChIKey
FLYPDIKXDNKURY-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2-tetrafluoro-2-sulfinoethyl)piperazin-1-yl]ethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

557.92004 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.92732 165.6
[M+Na]+ 580.90926 165.4
[M+NH4]+ 575.95386 165.4
[M+K]+ 596.88320 165.2
[M-H]- 556.91276 163.6
[M+Na-2H]- 578.89471 165.7
[M]+ 557.91949 165.0
[M]- 557.92059 165.0
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