CID 20153488

4-chloro-6-(chloromethyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C5H5Cl2N3
SMILES
C1=C(N=C(N=C1Cl)N)CCl
InChI
InChI=1S/C5H5Cl2N3/c6-2-3-1-4(7)10-5(8)9-3/h1H,2H2,(H2,8,9,10)
InChIKey
MIRFGLZGZZWAQK-UHFFFAOYSA-N
Compound name
4-chloro-6-(chloromethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

176.98605 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.99333 130.6
[M+Na]+ 199.97527 141.6
[M-H]- 175.97877 130.7
[M+NH4]+ 195.01987 149.1
[M+K]+ 215.94921 136.8
[M+H-H2O]+ 159.98331 125.0
[M+HCOO]- 221.98425 144.3
[M+CH3COO]- 235.99990 179.7
[M+Na-2H]- 197.96072 137.5
[M]+ 176.98550 131.6
[M]- 176.98660 131.6
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