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
2
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 154.4
[M+Na]+ 312.02297 163.1
[M-H]- 288.02647 147.8
[M+NH4]+ 307.06757 168.1
[M+K]+ 327.99691 159.4
[M+H-H2O]+ 272.03101 142.6
[M+HCOO]- 334.03195 164.3
[M+CH3COO]- 348.04760 199.4
[M+Na-2H]- 310.00842 159.0
[M]+ 289.03320 144.7
[M]- 289.03430 144.7
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.