CID 15357181

1,1,1-trifluoro-3-(pyridin-4-yl)propan-2-one

Structural Information

Molecular Formula
C8H6F3NO
SMILES
C1=CN=CC=C1CC(=O)C(F)(F)F
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4H,5H2
InChIKey
SICVYTGMNFJYEZ-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-pyridin-4-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 134.1
[M+Na]+ 212.02937 142.6
[M-H]- 188.03287 132.5
[M+NH4]+ 207.07397 152.2
[M+K]+ 228.00331 140.3
[M+H-H2O]+ 172.03741 125.3
[M+HCOO]- 234.03835 152.3
[M+CH3COO]- 248.05400 180.8
[M+Na-2H]- 210.01482 140.5
[M]+ 189.03960 130.1
[M]- 189.04070 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.