CID 765182

4-fluoro mbzp

Structural Information

Molecular Formula
C12H17FN2
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3
InChIKey
KFMDNJJTGINMCS-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

106
Patents

208.13757 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14485 147.6
[M+Na]+ 231.12679 153.9
[M-H]- 207.13029 149.4
[M+NH4]+ 226.17139 163.6
[M+K]+ 247.10073 150.3
[M+H-H2O]+ 191.13483 138.0
[M+HCOO]- 253.13577 164.5
[M+CH3COO]- 267.15142 187.3
[M+Na-2H]- 229.11224 151.6
[M]+ 208.13702 142.3
[M]- 208.13812 142.3
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.