CID 1873396

537037-78-8

Structural Information

Molecular Formula
C13H19FN2O
SMILES
C1CN(CCN1)CCCOC2=CC=C(C=C2)F
InChI
InChI=1S/C13H19FN2O/c14-12-2-4-13(5-3-12)17-11-1-8-16-9-6-15-7-10-16/h2-5,15H,1,6-11H2
InChIKey
KUBAKABDMNMEGZ-UHFFFAOYSA-N
Compound name
1-[3-(4-fluorophenoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

238.14815 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.155426 155.5
[M+Na]+ 261.137368 159.9
[M-H]- 237.140874 155.3
[M+NH4]+ 256.181973 169.1
[M+K]+ 277.111308 155.6
[M+H-H2O]+ 221.145410 145.4
[M+HCOO]- 283.146351 170.8
[M+CH3COO]- 297.162001 188.6
[M+Na-2H]- 259.122816 159.2
[M]+ 238.14760142 149.7
[M]- 238.14869858 149.7
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

patents stripe