CID 202713

Brn 0796151

Structural Information

Molecular Formula
C8H8Cl2N4
SMILES
C1CN1C2=C(C(=NC(=N2)N3CC3)Cl)Cl
InChI
InChI=1S/C8H8Cl2N4/c9-5-6(10)11-8(14-3-4-14)12-7(5)13-1-2-13/h1-4H2
InChIKey
MCSORGXGVGMPGM-UHFFFAOYSA-N
Compound name
2,4-bis(aziridin-1-yl)-5,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

230.0126 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01988 169.1
[M+Na]+ 253.00182 179.2
[M-H]- 229.00532 172.0
[M+NH4]+ 248.04642 172.3
[M+K]+ 268.97576 173.4
[M+H-H2O]+ 213.00986 159.9
[M+HCOO]- 275.01080 178.1
[M+CH3COO]- 289.02645 176.7
[M+Na-2H]- 250.98727 170.3
[M]+ 230.01205 173.0
[M]- 230.01315 173.0
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

No patent data available for this compound.