CID 20072989

4,6-dichloro-5-nitropyrimidin-2-amine

Structural Information

Molecular Formula
C4H2Cl2N4O2
SMILES
C1(=C(N=C(N=C1Cl)N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4H2Cl2N4O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H2,7,8,9)
InChIKey
KIOZJDBYVRMAGM-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

207.95547 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.96275 135.0
[M+Na]+ 230.94469 145.3
[M-H]- 206.94819 135.4
[M+NH4]+ 225.98929 151.4
[M+K]+ 246.91863 137.5
[M+H-H2O]+ 190.95273 134.4
[M+HCOO]- 252.95367 150.2
[M+CH3COO]- 266.96932 179.0
[M+Na-2H]- 228.93014 142.7
[M]+ 207.95492 134.9
[M]- 207.95602 134.9
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