CID 59525762

Methyl 6-chloro-2-(chloromethyl)nicotinate

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
COC(=O)C1=C(N=C(C=C1)Cl)CCl
InChI
InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-3-7(10)11-6(5)4-9/h2-3H,4H2,1H3
InChIKey
TUJJDUMNJRNYGZ-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2-(chloromethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

218.98538 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99266 139.9
[M+Na]+ 241.97460 154.6
[M+NH4]+ 237.01920 148.2
[M+K]+ 257.94854 147.7
[M-H]- 217.97810 141.0
[M+Na-2H]- 239.96005 146.8
[M]+ 218.98483 142.9
[M]- 218.98593 142.9
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