CID 2757612

4-chloro-6-(1h-imidazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CN(C=N1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C7H5ClN4/c8-6-3-7(11-4-10-6)12-2-1-9-5-12/h1-5H
InChIKey
BOBHIPMYQAROLL-UHFFFAOYSA-N
Compound name
4-chloro-6-imidazol-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

482
Patents

180.02028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02756 133.1
[M+Na]+ 203.00950 144.3
[M-H]- 179.01300 134.6
[M+NH4]+ 198.05410 150.1
[M+K]+ 218.98344 140.0
[M+H-H2O]+ 163.01754 123.8
[M+HCOO]- 225.01848 150.3
[M+CH3COO]- 239.03413 146.4
[M+Na-2H]- 200.99495 140.8
[M]+ 180.01973 134.5
[M]- 180.02083 134.5
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

patents stripe