CID 44668350

1-(3,5-difluoropyridin-4-yl)piperazine

Structural Information

Molecular Formula
C9H11F2N3
SMILES
C1CN(CCN1)C2=C(C=NC=C2F)F
InChI
InChI=1S/C9H11F2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKey
RUVYNVPJFDXASX-UHFFFAOYSA-N
Compound name
1-(3,5-difluoropyridin-4-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0921 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09938 142.6
[M+Na]+ 222.08132 150.0
[M-H]- 198.08482 140.7
[M+NH4]+ 217.12592 156.8
[M+K]+ 238.05526 145.4
[M+H-H2O]+ 182.08936 131.9
[M+HCOO]- 244.09030 156.6
[M+CH3COO]- 258.10595 152.8
[M+Na-2H]- 220.06677 147.1
[M]+ 199.09155 133.9
[M]- 199.09265 133.9
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.