CID 122163392

Methyl 2-chloro-5-(chloromethyl)pyridine-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.98538 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.992656 138.3
[M+Na]+ 241.974598 149.1
[M-H]- 217.978104 140.5
[M+NH4]+ 237.019203 157.1
[M+K]+ 257.948538 144.9
[M+H-H2O]+ 201.982640 133.6
[M+HCOO]- 263.983581 151.9
[M+CH3COO]- 277.999231 185.1
[M+Na-2H]- 239.960046 143.4
[M]+ 218.98483142 143.4
[M]- 218.98592858 143.4
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

No patent data available for this compound.