CID 21186065

4,5-dichloropyrimidin-2-amine

Structural Information

Molecular Formula
C4H3Cl2N3
SMILES
C1=C(C(=NC(=N1)N)Cl)Cl
InChI
InChI=1S/C4H3Cl2N3/c5-2-1-8-4(7)9-3(2)6/h1H,(H2,7,8,9)
InChIKey
LCNPRNSOGSLJFZ-UHFFFAOYSA-N
Compound name
4,5-dichloropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

162.9704 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.97768 126.0
[M+Na]+ 185.95962 137.5
[M-H]- 161.96312 126.3
[M+NH4]+ 181.00422 145.1
[M+K]+ 201.93356 132.9
[M+H-H2O]+ 145.96766 120.7
[M+HCOO]- 207.96860 140.0
[M+CH3COO]- 221.98425 176.7
[M+Na-2H]- 183.94507 133.4
[M]+ 162.96985 126.7
[M]- 162.97095 126.7
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