CID 598255

4-chloro-6-methyl-2-phenylpyrimidine

Structural Information

Molecular Formula
C11H9ClN2
SMILES
CC1=CC(=NC(=N1)C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H9ClN2/c1-8-7-10(12)14-11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
MOLLLUIWZOISLC-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

100
Patents

204.04543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.052706 140.8
[M+Na]+ 227.034648 151.4
[M-H]- 203.038154 144.9
[M+NH4]+ 222.079253 158.1
[M+K]+ 243.008588 146.0
[M+H-H2O]+ 187.042690 132.9
[M+HCOO]- 249.043631 158.7
[M+CH3COO]- 263.059281 154.1
[M+Na-2H]- 225.020096 148.7
[M]+ 204.04488142 142.5
[M]- 204.04597858 142.5
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