CID 101043422

1043870-58-1

Structural Information

Molecular Formula
C8H7ClINO2
SMILES
CC1=C(N=C(C=C1C(=O)OC)I)Cl
InChI
InChI=1S/C8H7ClINO2/c1-4-5(8(12)13-2)3-6(10)11-7(4)9/h3H,1-2H3
InChIKey
ZBDLXUCRHRRXFN-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-iodo-3-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.921 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.928276 142.6
[M+Na]+ 333.910218 146.6
[M-H]- 309.913724 138.8
[M+NH4]+ 328.954823 157.1
[M+K]+ 349.884158 149.5
[M+H-H2O]+ 293.918260 133.9
[M+HCOO]- 355.919201 156.4
[M+CH3COO]- 369.934851 192.7
[M+Na-2H]- 331.895666 135.7
[M]+ 310.92045142 144.6
[M]- 310.92154858 144.6
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.