CID 301038

56145-04-1

Structural Information

Molecular Formula
C6H4Cl2N4O3
SMILES
CC(=O)NC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H4Cl2N4O3/c1-2(13)9-6-10-4(7)3(12(14)15)5(8)11-6/h1H3,(H,9,10,11,13)
InChIKey
JTLCZWOWLVTEOB-UHFFFAOYSA-N
Compound name
N-(4,6-dichloro-5-nitropyrimidin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

249.96605 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97333 145.0
[M+Na]+ 272.95527 154.4
[M-H]- 248.95877 145.8
[M+NH4]+ 267.99987 159.8
[M+K]+ 288.92921 146.9
[M+H-H2O]+ 232.96331 144.1
[M+HCOO]- 294.96425 159.6
[M+CH3COO]- 308.97990 186.8
[M+Na-2H]- 270.94072 151.8
[M]+ 249.96550 146.6
[M]- 249.96660 146.6
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