CID 301039

2,5-diamino-4,6-dichloropyrimidine

Structural Information

Molecular Formula
C4H4Cl2N4
SMILES
C1(=C(N=C(N=C1Cl)N)Cl)N
InChI
InChI=1S/C4H4Cl2N4/c5-2-1(7)3(6)10-4(8)9-2/h7H2,(H2,8,9,10)
InChIKey
ZXWGHENZKVQKPX-UHFFFAOYSA-N
Compound name
4,6-dichloropyrimidine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

479
Patents

177.98131 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.98859 132.0
[M+Na]+ 200.97053 143.5
[M-H]- 176.97403 132.1
[M+NH4]+ 196.01513 150.1
[M+K]+ 216.94447 138.5
[M+H-H2O]+ 160.97857 126.7
[M+HCOO]- 222.97951 146.4
[M+CH3COO]- 236.99516 182.2
[M+Na-2H]- 198.95598 137.7
[M]+ 177.98076 131.4
[M]- 177.98186 131.4
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