CID 43557500

4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine

Structural Information

Molecular Formula
C11H8ClN3O2
SMILES
CC1=CC(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H8ClN3O2/c1-7-6-10(12)14-11(13-7)8-2-4-9(5-3-8)15(16)17/h2-6H,1H3
InChIKey
DJFUKKYCJQOIFC-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0305 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.037776 151.0
[M+Na]+ 272.019718 160.4
[M-H]- 248.023224 155.4
[M+NH4]+ 267.064323 165.5
[M+K]+ 287.993658 151.7
[M+H-H2O]+ 232.027760 147.6
[M+HCOO]- 294.028701 170.0
[M+CH3COO]- 308.044351 187.0
[M+Na-2H]- 270.005166 159.2
[M]+ 249.02995142 151.9
[M]- 249.03104858 151.9
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

No patent data available for this compound.