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

49
Patents

238.14815 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15543 155.5
[M+Na]+ 261.13737 159.9
[M-H]- 237.14087 155.3
[M+NH4]+ 256.18197 169.1
[M+K]+ 277.11131 155.6
[M+H-H2O]+ 221.14541 145.4
[M+HCOO]- 283.14635 170.8
[M+CH3COO]- 297.16200 188.6
[M+Na-2H]- 259.12282 159.2
[M]+ 238.14760 149.7
[M]- 238.14870 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