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

980
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 167.1
[M+Na]+ 311.13302 171.9
[M-H]- 287.13652 168.9
[M+NH4]+ 306.17762 178.3
[M+K]+ 327.10696 165.2
[M+H-H2O]+ 271.14106 155.0
[M+HCOO]- 333.14200 180.0
[M+CH3COO]- 347.15765 175.4
[M+Na-2H]- 309.11847 168.7
[M]+ 288.14325 157.4
[M]- 288.14435 157.4
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.