CID 4738807

1-(3-fluoro-4-methoxyphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C11H15FN2O
SMILES
COC1=C(C=C(C=C1)N2CCNCC2)F
InChI
InChI=1S/C11H15FN2O/c1-15-11-3-2-9(8-10(11)12)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
PAJHHDMCTITZEM-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

210.11684 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12412 146.9
[M+Na]+ 233.10606 153.1
[M-H]- 209.10956 147.5
[M+NH4]+ 228.15066 162.0
[M+K]+ 249.08000 149.4
[M+H-H2O]+ 193.11410 137.6
[M+HCOO]- 255.11504 162.9
[M+CH3COO]- 269.13069 183.7
[M+Na-2H]- 231.09151 150.9
[M]+ 210.11629 140.8
[M]- 210.11739 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe