CID 2761044

Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H5Cl2N3O4
SMILES
CCOC(=O)C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H5Cl2N3O4/c1-2-16-6(13)3-4(12(14)15)5(8)11-7(9)10-3/h2H2,1H3
InChIKey
CXMOEGSGXAUCNZ-UHFFFAOYSA-N
Compound name
ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

264.9657 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.97298 147.3
[M+Na]+ 287.95492 157.1
[M-H]- 263.95842 148.2
[M+NH4]+ 282.99952 161.9
[M+K]+ 303.92886 150.0
[M+H-H2O]+ 247.96296 146.4
[M+HCOO]- 309.96390 160.9
[M+CH3COO]- 323.97955 187.1
[M+Na-2H]- 285.94037 153.5
[M]+ 264.96515 151.5
[M]- 264.96625 151.5
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