CID 2735804

5-(4-chlorophenyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C10H8ClN3
SMILES
C1=CC(=CC=C1C2=CN=CN=C2N)Cl
InChI
InChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14)
InChIKey
KGDRSRGXGBIWDQ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

205.04068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.047956 141.5
[M+Na]+ 228.029898 151.7
[M-H]- 204.033404 145.3
[M+NH4]+ 223.074503 158.2
[M+K]+ 244.003838 146.0
[M+H-H2O]+ 188.037940 133.6
[M+HCOO]- 250.038881 160.2
[M+CH3COO]- 264.054531 154.4
[M+Na-2H]- 226.015346 149.3
[M]+ 205.04013142 141.3
[M]- 205.04122858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe