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

31
Patents

176.98605 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.993326 130.6
[M+Na]+ 199.975268 141.6
[M-H]- 175.978774 130.7
[M+NH4]+ 195.019873 149.1
[M+K]+ 215.949208 136.8
[M+H-H2O]+ 159.983310 125.0
[M+HCOO]- 221.984251 144.3
[M+CH3COO]- 235.999901 179.7
[M+Na-2H]- 197.960716 137.5
[M]+ 176.98550142 131.6
[M]- 176.98659858 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