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 141.6
[M+Na]+ 227.03465 159.4
[M+NH4]+ 222.07925 151.4
[M+K]+ 243.00859 150.3
[M-H]- 203.03815 146.3
[M+Na-2H]- 225.02010 153.0
[M]+ 204.04488 146.1
[M]- 204.04598 146.1
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