CID 3979824

1-[1-(2,4-difluorophenyl)propyl]piperazine

Structural Information

Molecular Formula
C13H18F2N2
SMILES
CCC(C1=C(C=C(C=C1)F)F)N2CCNCC2
InChI
InChI=1S/C13H18F2N2/c1-2-13(17-7-5-16-6-8-17)11-4-3-10(14)9-12(11)15/h3-4,9,13,16H,2,5-8H2,1H3
InChIKey
HYMGMPAHOVBUMS-UHFFFAOYSA-N
Compound name
1-[1-(2,4-difluorophenyl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1438 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15108 155.6
[M+Na]+ 263.13302 160.8
[M-H]- 239.13652 154.5
[M+NH4]+ 258.17762 169.4
[M+K]+ 279.10696 156.0
[M+H-H2O]+ 223.14106 145.2
[M+HCOO]- 285.14200 168.6
[M+CH3COO]- 299.15765 191.3
[M+Na-2H]- 261.11847 156.8
[M]+ 240.14325 147.1
[M]- 240.14435 147.1
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.