CID 45588064

Methyl 4,6-dichloro-5-nitronicotinate

Structural Information

Molecular Formula
C7H4Cl2N2O4
SMILES
COC(=O)C1=CN=C(C(=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H4Cl2N2O4/c1-15-7(12)3-2-10-6(9)5(4(3)8)11(13)14/h2H,1H3
InChIKey
WEVGYEXAMYIOMD-UHFFFAOYSA-N
Compound name
methyl 4,6-dichloro-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.95482 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96210 143.9
[M+Na]+ 272.94404 153.9
[M-H]- 248.94754 146.2
[M+NH4]+ 267.98864 160.5
[M+K]+ 288.91798 146.9
[M+H-H2O]+ 232.95208 144.2
[M+HCOO]- 294.95302 158.9
[M+CH3COO]- 308.96867 184.4
[M+Na-2H]- 270.92949 149.8
[M]+ 249.95427 147.9
[M]- 249.95537 147.9
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