CID 346961

Methyl 6-chloro-5-nitronicotinate

Structural Information

Molecular Formula
C7H5ClN2O4
SMILES
COC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3
InChIKey
BRPREIDVQXJOJH-UHFFFAOYSA-N
Compound name
methyl 6-chloro-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

550
Patents

215.99379 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00107 137.7
[M+Na]+ 238.98301 151.7
[M+NH4]+ 234.02761 144.9
[M+K]+ 254.95695 149.2
[M-H]- 214.98651 139.4
[M+Na-2H]- 236.96846 143.6
[M]+ 215.99324 140.2
[M]- 215.99434 140.2
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