CID 13404541

5-amino-4-chloropyrimidine

Structural Information

Molecular Formula
C4H4ClN3
SMILES
C1=C(C(=NC=N1)Cl)N
InChI
InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
InChIKey
LHGMCUVJFRBVBH-UHFFFAOYSA-N
Compound name
4-chloropyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

349
Patents

129.00937 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.016646 120.3
[M+Na]+ 151.998588 130.6
[M-H]- 128.002094 121.1
[M+NH4]+ 147.043193 140.2
[M+K]+ 167.972528 127.4
[M+H-H2O]+ 112.006630 114.2
[M+HCOO]- 174.007571 139.5
[M+CH3COO]- 188.023221 170.7
[M+Na-2H]- 149.984036 129.3
[M]+ 129.00882142 119.8
[M]- 129.00991858 119.8
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