CID 2832704

Dtxsid701348715

Structural Information

Molecular Formula
C12H13F9N2O
SMILES
C1CC2CN(CCN2C1)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H13F9N2O/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(24)23-5-4-22-3-1-2-7(22)6-23/h7H,1-6H2
InChIKey
YSEDKLFURRHTDJ-UHFFFAOYSA-N
Compound name
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.0884 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09568 178.0
[M+Na]+ 395.07762 184.5
[M-H]- 371.08112 167.9
[M+NH4]+ 390.12222 189.6
[M+K]+ 411.05156 180.5
[M+H-H2O]+ 355.08566 165.2
[M+HCOO]- 417.08660 177.3
[M+CH3COO]- 431.10225 213.6
[M+Na-2H]- 393.06307 178.2
[M]+ 372.08785 160.7
[M]- 372.08895 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.