CID 21830046

5-(bromomethyl)-2-phenylpyrimidine

Structural Information

Molecular Formula
C11H9BrN2
SMILES
C1=CC=C(C=C1)C2=NC=C(C=N2)CBr
InChI
InChI=1S/C11H9BrN2/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2
InChIKey
OFZDTRPGUOMRKC-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

247.9949 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00218 143.6
[M+Na]+ 270.98412 155.5
[M-H]- 246.98762 150.3
[M+NH4]+ 266.02872 162.0
[M+K]+ 286.95806 143.7
[M+H-H2O]+ 230.99216 142.3
[M+HCOO]- 292.99310 164.1
[M+CH3COO]- 307.00875 158.4
[M+Na-2H]- 268.96957 153.8
[M]+ 247.99435 161.9
[M]- 247.99545 161.9
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