CID 14364376

125849-96-9

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
CC1=C(N=C(C=C1C(=O)OC)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO2/c1-4-5(8(12)13-2)3-6(9)11-7(4)10/h3H,1-2H3
InChIKey
ZXKKQCNCVITOAK-UHFFFAOYSA-N
Compound name
methyl 2,6-dichloro-3-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.98538 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99266 137.6
[M+Na]+ 241.97460 149.3
[M-H]- 217.97810 140.2
[M+NH4]+ 237.01920 156.8
[M+K]+ 257.94854 145.2
[M+H-H2O]+ 201.98264 133.3
[M+HCOO]- 263.98358 151.2
[M+CH3COO]- 277.99923 186.3
[M+Na-2H]- 239.96005 142.1
[M]+ 218.98483 143.2
[M]- 218.98593 143.2
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