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)pyridin-3-yl]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]+ 204.06308 137.5
[M+Na]+ 226.04502 147.5
[M-H]- 202.04852 136.6
[M+NH4]+ 221.08962 155.8
[M+K]+ 242.01896 145.0
[M+H-H2O]+ 186.05306 129.2
[M+HCOO]- 248.05400 155.5
[M+CH3COO]- 262.06965 186.2
[M+Na-2H]- 224.03047 142.1
[M]+ 203.05525 134.7
[M]- 203.05635 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