CID 53402528

1-(2-chloro-5-(trifluoromethyl)pyridin-3-yl)ethanone

Structural Information

Molecular Formula
C8H5ClF3NO
SMILES
CC(=O)C1=C(N=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C8H5ClF3NO/c1-4(14)6-2-5(8(10,11)12)3-13-7(6)9/h2-3H,1H3
InChIKey
MTURWIPCZHAYAR-UHFFFAOYSA-N
Compound name
1-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00117 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00845 144.4
[M+Na]+ 245.99039 154.7
[M+NH4]+ 241.03499 149.9
[M+K]+ 261.96433 149.7
[M-H]- 221.99389 140.7
[M+Na-2H]- 243.97584 148.7
[M]+ 223.00062 144.8
[M]- 223.00172 144.8
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

No patent data available for this compound.