CID 2736618

3-chloro-2-methoxy-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5ClF3NO
SMILES
COC1=C(C=C(C=N1)C(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
InChIKey
ZRRBUQUZQJTWRO-UHFFFAOYSA-N
Compound name
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

211.00117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00845 140.7
[M+Na]+ 233.99039 151.5
[M+NH4]+ 229.03499 146.7
[M+K]+ 249.96433 146.0
[M-H]- 209.99389 137.5
[M+Na-2H]- 231.97584 145.6
[M]+ 211.00062 141.4
[M]- 211.00172 141.4
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