CID 63539496

1484336-74-4

Structural Information

Molecular Formula
C12H8ClIN2O2
SMILES
C1=CC=C(C(=C1)NC2=C(C=CC(=N2)Cl)C(=O)O)I
InChI
InChI=1S/C12H8ClIN2O2/c13-10-6-5-7(12(17)18)11(16-10)15-9-4-2-1-3-8(9)14/h1-6H,(H,15,16)(H,17,18)
InChIKey
OMXCAYVBCCBOJU-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-iodoanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9319 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.93918 164.6
[M+Na]+ 396.92112 166.6
[M-H]- 372.92462 161.9
[M+NH4]+ 391.96572 174.9
[M+K]+ 412.89506 167.1
[M+H-H2O]+ 356.92916 153.8
[M+HCOO]- 418.93010 177.7
[M+CH3COO]- 432.94575 202.9
[M+Na-2H]- 394.90657 157.6
[M]+ 373.93135 163.1
[M]- 373.93245 163.1
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.