CID 87259991

Methyl 6-chloro-4-nitropyridine-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.99379 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.001066 138.4
[M+Na]+ 238.983008 147.6
[M-H]- 214.986514 141.2
[M+NH4]+ 234.027613 155.8
[M+K]+ 254.956948 141.6
[M+H-H2O]+ 198.991050 137.6
[M+HCOO]- 260.991991 158.6
[M+CH3COO]- 275.007641 178.5
[M+Na-2H]- 236.968456 145.8
[M]+ 215.99324142 141.0
[M]- 215.99433858 141.0
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

patents stripe