CID 13666599

2,3,5-trichloro-6-ethoxypyridine

Structural Information

Molecular Formula
C7H6Cl3NO
SMILES
CCOC1=NC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C7H6Cl3NO/c1-2-12-7-5(9)3-4(8)6(10)11-7/h3H,2H2,1H3
InChIKey
YTTTYQKAWQIMOR-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-6-ethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.95149 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.95877 138.0
[M+Na]+ 247.94071 149.7
[M-H]- 223.94421 139.1
[M+NH4]+ 242.98531 156.8
[M+K]+ 263.91465 144.7
[M+H-H2O]+ 207.94875 134.2
[M+HCOO]- 269.94969 146.7
[M+CH3COO]- 283.96534 187.6
[M+Na-2H]- 245.92616 142.9
[M]+ 224.95094 142.8
[M]- 224.95204 142.8
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