CID 51358479

2-chloro-4-(2,2,2-trifluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H5ClF3NO
SMILES
C1=CN=C(C=C1OCC(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3NO/c8-6-3-5(1-2-12-6)13-4-7(9,10)11/h1-3H,4H2
InChIKey
AEIHRRMIARXQBG-UHFFFAOYSA-N
Compound name
2-chloro-4-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

211.00117 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe