CID 115417053

4-fluoro-6-(piperazin-1-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C8H11FN4
SMILES
C1CN(CCN1)C2=CC(=NC=N2)F
InChI
InChI=1S/C8H11FN4/c9-7-5-8(12-6-11-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKey
AMQMADYAZWHYHA-UHFFFAOYSA-N
Compound name
4-fluoro-6-piperazin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.09677 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10405 140.4
[M+Na]+ 205.08599 147.1
[M-H]- 181.08949 138.1
[M+NH4]+ 200.13059 153.6
[M+K]+ 221.05993 143.0
[M+H-H2O]+ 165.09403 129.7
[M+HCOO]- 227.09497 154.3
[M+CH3COO]- 241.11062 150.4
[M+Na-2H]- 203.07144 146.7
[M]+ 182.09622 132.5
[M]- 182.09732 132.5
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.