CID 152932

27469-60-9

Structural Information

Molecular Formula
C17H18F2N2
SMILES
C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKey
TTXIFFYPVGWLSE-UHFFFAOYSA-N
Compound name
1-[bis(4-fluorophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

952
Patents

288.1438 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15108 170.0
[M+Na]+ 311.13302 182.4
[M+NH4]+ 306.17762 177.0
[M+K]+ 327.10696 174.3
[M-H]- 287.13652 172.5
[M+Na-2H]- 309.11847 177.9
[M]+ 288.14325 172.3
[M]- 288.14435 172.3
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