CID 2782900

205582-83-8

Structural Information

Molecular Formula
C9H8F3NO
SMILES
CC1=C(C=CC(=N1)C(F)(F)F)C(=O)C
InChI
InChI=1S/C9H8F3NO/c1-5-7(6(2)14)3-4-8(13-5)9(10,11)12/h3-4H,1-2H3
InChIKey
SLRPZQQYFZSWBO-UHFFFAOYSA-N
Compound name
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.0558 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.063076 137.5
[M+Na]+ 226.045018 147.5
[M-H]- 202.048524 136.6
[M+NH4]+ 221.089623 155.8
[M+K]+ 242.018958 145.0
[M+H-H2O]+ 186.053060 129.2
[M+HCOO]- 248.054001 155.5
[M+CH3COO]- 262.069651 186.2
[M+Na-2H]- 224.030466 142.1
[M]+ 203.05525142 134.7
[M]- 203.05634858 134.7
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

patents stripe