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

230
Patents

264.9657 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.972976 147.3
[M+Na]+ 287.954918 157.1
[M-H]- 263.958424 148.2
[M+NH4]+ 282.999523 161.9
[M+K]+ 303.928858 150.0
[M+H-H2O]+ 247.962960 146.4
[M+HCOO]- 309.963901 160.9
[M+CH3COO]- 323.979551 187.1
[M+Na-2H]- 285.940366 153.5
[M]+ 264.96515142 151.5
[M]- 264.96624858 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