CID 200908

Pyrimidine, 2,4-bis(1-aziridinyl)-5-fluoro-

Structural Information

Molecular Formula
C8H9FN4
SMILES
C1CN1C2=NC(=NC=C2F)N3CC3
InChI
InChI=1S/C8H9FN4/c9-6-5-10-8(13-3-4-13)11-7(6)12-1-2-12/h5H,1-4H2
InChIKey
YTQADYNFPPTFSO-UHFFFAOYSA-N
Compound name
2,4-bis(aziridin-1-yl)-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08113 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08841 168.2
[M+Na]+ 203.07035 178.2
[M-H]- 179.07385 171.7
[M+NH4]+ 198.11495 172.2
[M+K]+ 219.04429 173.5
[M+H-H2O]+ 163.07839 158.1
[M+HCOO]- 225.07933 185.1
[M+CH3COO]- 239.09498 176.5
[M+Na-2H]- 201.05580 170.6
[M]+ 180.08058 169.5
[M]- 180.08168 169.5
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.