CID 12965266

2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)cyclopentan-1-one

Structural Information

Molecular Formula
C10H7F9O2
SMILES
C1CC(C(=O)C1)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F9O2/c11-7(12,6(21)4-2-1-3-5(4)20)8(13,14)9(15,16)10(17,18)19/h4H,1-3H2
InChIKey
PFZDTHHLJUIBOD-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.03024 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03752 160.0
[M+Na]+ 353.01946 168.0
[M-H]- 329.02296 152.4
[M+NH4]+ 348.06406 174.8
[M+K]+ 368.99340 165.1
[M+H-H2O]+ 313.02750 149.2
[M+HCOO]- 375.02844 165.9
[M+CH3COO]- 389.04409 206.3
[M+Na-2H]- 351.00491 160.8
[M]+ 330.02969 145.2
[M]- 330.03079 145.2
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.