CID 10851565

2-chloro-4-iodo-nicotinic acid methyl ester

Structural Information

Molecular Formula
C7H5ClINO2
SMILES
COC(=O)C1=C(C=CN=C1Cl)I
InChI
InChI=1S/C7H5ClINO2/c1-12-7(11)5-4(9)2-3-10-6(5)8/h2-3H,1H3
InChIKey
FXGPTKSMXUWJGO-UHFFFAOYSA-N
Compound name
methyl 2-chloro-4-iodopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

296.90536 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.912636 139.1
[M+Na]+ 319.894578 142.5
[M-H]- 295.898084 135.0
[M+NH4]+ 314.939183 153.7
[M+K]+ 335.868518 145.6
[M+H-H2O]+ 279.902620 130.2
[M+HCOO]- 341.903561 153.1
[M+CH3COO]- 355.919211 188.8
[M+Na-2H]- 317.880026 133.2
[M]+ 296.90481142 140.3
[M]- 296.90590858 140.3
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