CID 21801001

89245-13-6

Structural Information

Molecular Formula
C8H9F7N2O
SMILES
C1CN(CCN1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F7N2O/c9-6(10,7(11,12)8(13,14)15)5(18)17-3-1-16-2-4-17/h16H,1-4H2
InChIKey
NEIFNBMQYNENQZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-piperazin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

282.0603 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06758 155.5
[M+Na]+ 305.04952 161.6
[M-H]- 281.05302 145.4
[M+NH4]+ 300.09412 167.2
[M+K]+ 321.02346 158.2
[M+H-H2O]+ 265.05756 143.6
[M+HCOO]- 327.05850 159.1
[M+CH3COO]- 341.07415 194.1
[M+Na-2H]- 303.03497 157.9
[M]+ 282.05975 139.4
[M]- 282.06085 139.4
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

patents stripe