CID 138396376

95851-62-0

Structural Information

Molecular Formula
C13H13F13N2O2
SMILES
C1CN(CCN1CCO)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H13F13N2O2/c14-8(15,7(30)28-3-1-27(2-4-28)5-6-29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h29H,1-6H2
InChIKey
MECCLHJOKCODKC-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

476.07693 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.08421 197.2
[M+Na]+ 499.06615 203.5
[M-H]- 475.06965 181.5
[M+NH4]+ 494.11075 201.1
[M+K]+ 515.04009 199.2
[M+H-H2O]+ 459.07419 181.8
[M+HCOO]- 521.07513 189.2
[M+CH3COO]- 535.09078 230.3
[M+Na-2H]- 497.05160 197.3
[M]+ 476.07638 174.4
[M]- 476.07748 174.4
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.