CID 18414100

1-(5-fluoro-2-methoxyphenyl)piperazine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

210.11684 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.124116 146.9
[M+Na]+ 233.106058 153.1
[M-H]- 209.109564 147.5
[M+NH4]+ 228.150663 162.0
[M+K]+ 249.079998 149.4
[M+H-H2O]+ 193.114100 137.6
[M+HCOO]- 255.115041 162.9
[M+CH3COO]- 269.130691 183.7
[M+Na-2H]- 231.091506 150.9
[M]+ 210.11629142 140.8
[M]- 210.11738858 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

No literature data available for this compound.

Patent stripe

patents stripe