CID 62747245

2-(4-bromophenyl)-4-(chloromethyl)pyrimidine

Structural Information

Molecular Formula
C11H8BrClN2
SMILES
C1=CC(=CC=C1C2=NC=CC(=N2)CCl)Br
InChI
InChI=1S/C11H8BrClN2/c12-9-3-1-8(2-4-9)11-14-6-5-10(7-13)15-11/h1-6H,7H2
InChIKey
NYBBQCXRGIHZPQ-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4-(chloromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.95593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96321 148.0
[M+Na]+ 304.94515 161.6
[M-H]- 280.94865 154.7
[M+NH4]+ 299.98975 166.1
[M+K]+ 320.91909 148.1
[M+H-H2O]+ 264.95319 147.1
[M+HCOO]- 326.95413 163.9
[M+CH3COO]- 340.96978 162.7
[M+Na-2H]- 302.93060 157.1
[M]+ 281.95538 168.5
[M]- 281.95648 168.5
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.