CID 2819637

4-(4-bromophenyl)-2-methylpyrimidine

Structural Information

Molecular Formula
C11H9BrN2
SMILES
CC1=NC=CC(=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H9BrN2/c1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKey
ONNFCICFTHMQHX-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

247.9949 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00218 143.5
[M+Na]+ 270.98412 156.2
[M-H]- 246.98762 150.6
[M+NH4]+ 266.02872 162.2
[M+K]+ 286.95806 144.5
[M+H-H2O]+ 230.99216 142.3
[M+HCOO]- 292.99310 164.0
[M+CH3COO]- 307.00875 158.6
[M+Na-2H]- 268.96957 153.0
[M]+ 247.99435 162.2
[M]- 247.99545 162.2
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