CID 200400

Brn 0568270

Structural Information

Molecular Formula
C20H24ClFN2O
SMILES
C1CN(CCN1CCCCOC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-14-12-23(13-15-24)11-1-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
InChIKey
LTTJMEWDHJCLKJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[4-(4-fluorophenoxy)butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15613 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16341 186.9
[M+Na]+ 385.14535 192.4
[M-H]- 361.14885 190.7
[M+NH4]+ 380.18995 196.9
[M+K]+ 401.11929 185.0
[M+H-H2O]+ 345.15339 174.7
[M+HCOO]- 407.15433 197.7
[M+CH3COO]- 421.16998 194.9
[M+Na-2H]- 383.13080 187.6
[M]+ 362.15558 185.5
[M]- 362.15668 185.5
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.