CID 82390793

Methyl 2-chloro-6-methyl-3-nitropyridine-4-carboxylate

Structural Information

Molecular Formula
C8H7ClN2O4
SMILES
CC1=CC(=C(C(=N1)Cl)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C8H7ClN2O4/c1-4-3-5(8(12)15-2)6(11(13)14)7(9)10-4/h3H,1-2H3
InChIKey
UYMZCNRHBIFZAK-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-methyl-3-nitropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.00943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01671 142.2
[M+Na]+ 252.99865 156.4
[M+NH4]+ 248.04325 149.3
[M+K]+ 268.97259 153.9
[M-H]- 229.00215 144.0
[M+Na-2H]- 250.98410 147.7
[M]+ 230.00888 144.8
[M]- 230.00998 144.8
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