CID 255089

3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpentan-2-one

Structural Information

Molecular Formula
C10H6F7NO
SMILES
C1=CC=NC(=C1)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)5-6-3-1-2-4-18-6/h1-4H,5H2
InChIKey
UMAGRURZHCBKFO-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.03375 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04103 174.3
[M+Na]+ 312.02297 177.5
[M+NH4]+ 307.06757 174.9
[M+K]+ 327.99691 174.4
[M-H]- 288.02647 166.3
[M+Na-2H]- 310.00842 173.9
[M]+ 289.03320 172.1
[M]- 289.03430 172.1
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.