CID 3623777

1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]propan-1-one

Structural Information

Molecular Formula
C15H13F17N2O3S
SMILES
CCC(=O)N1CCN(CC1)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H13F17N2O3S/c1-2-7(35)33-3-5-34(6-4-33)38(36,37)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h2-6H2,1H3
InChIKey
YZKLWOAXLICVPM-UHFFFAOYSA-N
Compound name
1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.03754 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.04482 162.5
[M+Na]+ 647.02676 162.5
[M+NH4]+ 642.07136 162.2
[M+K]+ 663.00070 162.8
[M-H]- 623.03026 161.1
[M+Na-2H]- 645.01221 162.8
[M]+ 624.03699 162.1
[M]- 624.03809 162.1
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.