CID 20093032

4-chloro-5-(4-methylphenyl)pyrimidine

Structural Information

Molecular Formula
C11H9ClN2
SMILES
CC1=CC=C(C=C1)C2=CN=CN=C2Cl
InChI
InChI=1S/C11H9ClN2/c1-8-2-4-9(5-3-8)10-6-13-7-14-11(10)12/h2-7H,1H3
InChIKey
CDTIOSNDFAJVNQ-UHFFFAOYSA-N
Compound name
4-chloro-5-(4-methylphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.04543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05271 140.8
[M+Na]+ 227.03465 151.4
[M-H]- 203.03815 144.9
[M+NH4]+ 222.07925 158.1
[M+K]+ 243.00859 146.0
[M+H-H2O]+ 187.04269 132.9
[M+HCOO]- 249.04363 158.7
[M+CH3COO]- 263.05928 154.1
[M+Na-2H]- 225.02010 148.7
[M]+ 204.04488 142.5
[M]- 204.04598 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

No literature data available for this compound.

Patent stripe

patents stripe