CID 46942117

5,7-dichloroimidazo[1,2-c]pyrimidine

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
C1=CN2C(=N1)C=C(N=C2Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-3-5-9-1-2-11(5)6(8)10-4/h1-3H
InChIKey
QMTXTHVMSRFISO-UHFFFAOYSA-N
Compound name
5,7-dichloroimidazo[1,2-c]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

186.9704 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.977676 130.9
[M+Na]+ 209.959618 144.7
[M-H]- 185.963124 131.3
[M+NH4]+ 205.004223 151.0
[M+K]+ 225.933558 139.4
[M+H-H2O]+ 169.967660 124.0
[M+HCOO]- 231.968601 144.3
[M+CH3COO]- 245.984251 145.0
[M+Na-2H]- 207.945066 139.1
[M]+ 186.96985142 135.4
[M]- 186.97094858 135.4
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