CID 130882878

1805930-73-7

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
COC(=O)C1=NC(=C(C(=C1)Cl)N)Cl
InChI
InChI=1S/C7H6Cl2N2O2/c1-13-7(12)4-2-3(8)5(10)6(9)11-4/h2H,10H2,1H3
InChIKey
NRVIZFGDZANPDQ-UHFFFAOYSA-N
Compound name
methyl 5-amino-4,6-dichloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.98064 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 139.6
[M+Na]+ 242.96986 150.8
[M-H]- 218.97336 141.7
[M+NH4]+ 238.01446 158.0
[M+K]+ 258.94380 146.5
[M+H-H2O]+ 202.97790 135.1
[M+HCOO]- 264.97884 153.9
[M+CH3COO]- 278.99449 187.5
[M+Na-2H]- 240.95531 143.6
[M]+ 219.98009 143.0
[M]- 219.98119 143.0
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.