CID 84224

14143-55-6

Structural Information

Molecular Formula
C7H5Cl3N2O2
SMILES
COC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl
InChI
InChI=1S/C7H5Cl3N2O2/c1-14-7(13)5-2(8)4(11)3(9)6(10)12-5/h1H3,(H2,11,12)
InChIKey
RJQUHEYNLDNJLN-UHFFFAOYSA-N
Compound name
methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

931
Patents

253.94167 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.94895 145.0
[M+Na]+ 276.93089 156.8
[M-H]- 252.93439 146.2
[M+NH4]+ 271.97549 162.3
[M+K]+ 292.90483 151.8
[M+H-H2O]+ 236.93893 141.5
[M+HCOO]- 298.93987 153.8
[M+CH3COO]- 312.95552 194.1
[M+Na-2H]- 274.91634 147.3
[M]+ 253.94112 148.8
[M]- 253.94222 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe