CID 550259

2,2,3,3,4,4,4-heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one

Structural Information

Molecular Formula
C9H11F7N2O
SMILES
CN1CCN(CC1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H11F7N2O/c1-17-2-4-18(5-3-17)6(19)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKey
PVOHTVUHQALSJJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.07596 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08324 159.8
[M+Na]+ 319.06518 166.8
[M-H]- 295.06868 151.3
[M+NH4]+ 314.10978 172.0
[M+K]+ 335.03912 164.0
[M+H-H2O]+ 279.07322 147.8
[M+HCOO]- 341.07416 164.5
[M+CH3COO]- 355.08981 200.8
[M+Na-2H]- 317.05063 161.4
[M]+ 296.07541 146.2
[M]- 296.07651 146.2
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.