CID 202714

Brn 0656736

Structural Information

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

2D Structure

compound 2d structure
1
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References

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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 129.2
[M+Na]+ 253.00182 145.0
[M+NH4]+ 248.04642 137.5
[M+K]+ 268.97576 142.2
[M-H]- 229.00532 142.9
[M+Na-2H]- 250.98727 142.1
[M]+ 230.01205 137.6
[M]- 230.01315 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.