CID 14964924

Ethyl 2-chloro-5-nitronicotinate

Structural Information

Molecular Formula
C8H7ClN2O4
SMILES
CCOC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3
InChIKey
OXOWYVJYDSTHGX-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 143.3
[M+Na]+ 252.99865 152.1
[M-H]- 229.00215 146.0
[M+NH4]+ 248.04325 160.1
[M+K]+ 268.97259 145.8
[M+H-H2O]+ 213.00669 142.3
[M+HCOO]- 275.00763 163.1
[M+CH3COO]- 289.02328 181.5
[M+Na-2H]- 250.98410 150.2
[M]+ 230.00888 146.3
[M]- 230.00998 146.3
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