CID 53403137

749257-78-1

Structural Information

Molecular Formula
C8H6F3NO
SMILES
CC(=O)C1=C(C=CC=N1)C(F)(F)F
InChI
InChI=1S/C8H6F3NO/c1-5(13)7-6(8(9,10)11)3-2-4-12-7/h2-4H,1H3
InChIKey
DOZJVJQXOFNIKJ-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)pyridin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

189.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 141.8
[M+Na]+ 212.02937 151.3
[M+NH4]+ 207.07397 147.1
[M+K]+ 228.00331 146.6
[M-H]- 188.03287 138.1
[M+Na-2H]- 210.01482 146.1
[M]+ 189.03960 141.8
[M]- 189.04070 141.8
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

patents stripe