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]+ 250.03778 151.0
[M+Na]+ 272.01972 160.4
[M-H]- 248.02322 155.4
[M+NH4]+ 267.06432 165.5
[M+K]+ 287.99366 151.7
[M+H-H2O]+ 232.02776 147.6
[M+HCOO]- 294.02870 170.0
[M+CH3COO]- 308.04435 187.0
[M+Na-2H]- 270.00517 159.2
[M]+ 249.02995 151.9
[M]- 249.03105 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.