CID 86637398

5-benzyl-2-chloropyrimidine

Structural Information

Molecular Formula
C11H9ClN2
SMILES
C1=CC=C(C=C1)CC2=CN=C(N=C2)Cl
InChI
InChI=1S/C11H9ClN2/c12-11-13-7-10(8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey
LWKOTZUAHATCNT-UHFFFAOYSA-N
Compound name
5-benzyl-2-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

204.04543 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05271 140.8
[M+Na]+ 227.03465 150.4
[M-H]- 203.03815 144.5
[M+NH4]+ 222.07925 157.8
[M+K]+ 243.00859 145.0
[M+H-H2O]+ 187.04269 132.6
[M+HCOO]- 249.04363 158.7
[M+CH3COO]- 263.05928 153.7
[M+Na-2H]- 225.02010 149.4
[M]+ 204.04488 142.1
[M]- 204.04598 142.1
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