CID 83192

4,6-dichloro-2-methyl-5-nitropyrimidine

Structural Information

Molecular Formula
C5H3Cl2N3O2
SMILES
CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3
InChIKey
OPXGPTXSLFZVCA-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methyl-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

307
Patents

206.96024 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.967516 134.9
[M+Na]+ 229.949458 145.7
[M-H]- 205.952964 135.7
[M+NH4]+ 224.994063 152.0
[M+K]+ 245.923398 138.2
[M+H-H2O]+ 189.957500 134.4
[M+HCOO]- 251.958441 149.3
[M+CH3COO]- 265.974091 178.1
[M+Na-2H]- 227.934906 142.8
[M]+ 206.95969142 136.9
[M]- 206.96078858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe