CID 28818943

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

Structural Information

Molecular Formula
C15H17FN2S
SMILES
C1CN(CCN1)CC2=CC=C(S2)C3=CC=CC=C3F
InChI
InChI=1S/C15H17FN2S/c16-14-4-2-1-3-13(14)15-6-5-12(19-15)11-18-9-7-17-8-10-18/h1-6,17H,7-11H2
InChIKey
MAFYHQLPVBHQDK-UHFFFAOYSA-N
Compound name
1-[[5-(2-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 160.8
[M+Na]+ 299.09887 167.7
[M-H]- 275.10237 164.9
[M+NH4]+ 294.14347 175.8
[M+K]+ 315.07281 161.3
[M+H-H2O]+ 259.10691 151.6
[M+HCOO]- 321.10785 172.9
[M+CH3COO]- 335.12350 170.9
[M+Na-2H]- 297.08432 159.6
[M]+ 276.10910 155.8
[M]- 276.11020 155.8
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.