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]+ 231.016706 143.3
[M+Na]+ 252.998648 152.1
[M-H]- 229.002154 146.0
[M+NH4]+ 248.043253 160.1
[M+K]+ 268.972588 145.8
[M+H-H2O]+ 213.006690 142.3
[M+HCOO]- 275.007631 163.1
[M+CH3COO]- 289.023281 181.5
[M+Na-2H]- 250.984096 150.2
[M]+ 230.00888142 146.3
[M]- 230.00997858 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