CID 53435940

2-pyridinecarboxylic acid, 6-amino-3,4,5-trichloro-

Structural Information

Molecular Formula
C6H3Cl3N2O2
SMILES
C1(=C(C(=NC(=C1Cl)N)C(=O)O)Cl)Cl
InChI
InChI=1S/C6H3Cl3N2O2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H2,10,11)(H,12,13)
InChIKey
ATHJTJOXOQJKEC-UHFFFAOYSA-N
Compound name
6-amino-3,4,5-trichloropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

239.92601 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.93329 140.4
[M+Na]+ 262.91523 152.1
[M-H]- 238.91873 140.4
[M+NH4]+ 257.95983 157.4
[M+K]+ 278.88917 146.5
[M+H-H2O]+ 222.92327 137.5
[M+HCOO]- 284.92421 148.1
[M+CH3COO]- 298.93986 189.5
[M+Na-2H]- 260.90068 142.7
[M]+ 239.92546 142.1
[M]- 239.92656 142.1
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

patents stripe