CID 628083

1,1'-(piperazine-1,4-diyl)bis(heptafluorobutan-1-one)

Structural Information

Molecular Formula
C12H8F14N2O2
SMILES
C1CN(CCN1C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)27-1-2-28(4-3-27)6(30)8(15,16)10(19,20)12(24,25)26/h1-4H2
InChIKey
POJOTJRIJQZXPG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

478.03622 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.04350 193.3
[M+Na]+ 501.02544 200.8
[M-H]- 477.02894 178.4
[M+NH4]+ 496.07004 197.8
[M+K]+ 516.99938 197.0
[M+H-H2O]+ 461.03348 177.4
[M+HCOO]- 523.03442 185.5
[M+CH3COO]- 537.05007 231.1
[M+Na-2H]- 499.01089 192.8
[M]+ 478.03567 169.3
[M]- 478.03677 169.3
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.