CID 28819331

1-{[5-(3-fluorophenyl)thiophen-2-yl]methyl}piperazine

Structural Information

Molecular Formula
C15H17FN2S
SMILES
C1CN(CCN1)CC2=CC=C(S2)C3=CC(=CC=C3)F
InChI
InChI=1S/C15H17FN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2
InChIKey
NBPPEKAUGDVWRK-UHFFFAOYSA-N
Compound name
1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.10965 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11693 162.6
[M+Na]+ 299.09887 174.8
[M+NH4]+ 294.14347 171.3
[M+K]+ 315.07281 166.5
[M-H]- 275.10237 166.5
[M+Na-2H]- 297.08432 170.0
[M]+ 276.10910 165.8
[M]- 276.11020 165.8
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

No patent data available for this compound.