CID 12056728

2-chloro-3-(2,2,2-trifluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H5ClF3NO
SMILES
C1=CC(=C(N=C1)Cl)OCC(F)(F)F
InChI
InChI=1S/C7H5ClF3NO/c8-6-5(2-1-3-12-6)13-4-7(9,10)11/h1-3H,4H2
InChIKey
IUTMJBMTEOTFKB-UHFFFAOYSA-N
Compound name
2-chloro-3-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
Patents

211.00117 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.008446 134.8
[M+Na]+ 233.990388 145.4
[M-H]- 209.993894 133.5
[M+NH4]+ 229.034993 153.4
[M+K]+ 249.964328 141.5
[M+H-H2O]+ 193.998430 126.9
[M+HCOO]- 255.999371 149.6
[M+CH3COO]- 270.015021 182.9
[M+Na-2H]- 231.975836 142.0
[M]+ 211.00062142 134.2
[M]- 211.00171858 134.2
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

patents stripe