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

25
Patents

239.92601 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.933286 140.4
[M+Na]+ 262.915228 152.1
[M-H]- 238.918734 140.4
[M+NH4]+ 257.959833 157.4
[M+K]+ 278.889168 146.5
[M+H-H2O]+ 222.923270 137.5
[M+HCOO]- 284.924211 148.1
[M+CH3COO]- 298.939861 189.5
[M+Na-2H]- 260.900676 142.7
[M]+ 239.92546142 142.1
[M]- 239.92655858 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