CID 326528

2,2,3,3,4,4,4-heptafluoro-1-pyrrolidin-1-ylbutan-1-one

Structural Information

Molecular Formula
C8H8F7NO
SMILES
C1CCN(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F7NO/c9-6(10,7(11,12)8(13,14)15)5(17)16-3-1-2-4-16/h1-4H2
InChIKey
CIAFXLYUEVKNBA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

267.0494 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05668 149.3
[M+Na]+ 290.03862 156.7
[M-H]- 266.04212 142.4
[M+NH4]+ 285.08322 165.6
[M+K]+ 306.01256 154.5
[M+H-H2O]+ 250.04666 138.7
[M+HCOO]- 312.04760 157.9
[M+CH3COO]- 326.06325 193.7
[M+Na-2H]- 288.02407 151.2
[M]+ 267.04885 136.7
[M]- 267.04995 136.7
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.