CID 5252822

1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)piperazine

Structural Information

Molecular Formula
C12H9F17N2O2S
SMILES
C1CN(CCN1)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/C12H9F17N2O2S/c13-5(14,7(17,18)9(21,22)11(25,26)27)6(15,16)8(19,20)10(23,24)12(28,29)34(32,33)31-3-1-30-2-4-31/h30H,1-4H2
InChIKey
SJOOJYBVDNVFLP-UHFFFAOYSA-N
Compound name
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

568.01135 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.01863 161.5
[M+Na]+ 591.00057 161.4
[M+NH4]+ 586.04517 161.2
[M+K]+ 606.97451 161.8
[M-H]- 567.00407 160.1
[M+Na-2H]- 588.98602 161.8
[M]+ 568.01080 161.0
[M]- 568.01190 161.0
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