CID 13123556

4-(chloromethyl)-6-methyl-2-phenylpyrimidine

Structural Information

Molecular Formula
C12H11ClN2
SMILES
CC1=CC(=NC(=N1)C2=CC=CC=C2)CCl
InChI
InChI=1S/C12H11ClN2/c1-9-7-11(8-13)15-12(14-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKey
ZQLONMWSZSMIEN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-methyl-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06108 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06836 145.4
[M+Na]+ 241.05030 155.6
[M-H]- 217.05380 149.4
[M+NH4]+ 236.09490 162.2
[M+K]+ 257.02424 150.0
[M+H-H2O]+ 201.05834 137.3
[M+HCOO]- 263.05928 163.0
[M+CH3COO]- 277.07493 158.3
[M+Na-2H]- 239.03575 152.8
[M]+ 218.06053 147.5
[M]- 218.06163 147.5
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

No patent data available for this compound.