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

985
Patents

288.1438 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.151076 167.1
[M+Na]+ 311.133018 171.9
[M-H]- 287.136524 168.9
[M+NH4]+ 306.177623 178.3
[M+K]+ 327.106958 165.2
[M+H-H2O]+ 271.141060 155.0
[M+HCOO]- 333.142001 180.0
[M+CH3COO]- 347.157651 175.4
[M+Na-2H]- 309.118466 168.7
[M]+ 288.14325142 157.4
[M]- 288.14434858 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

literature stripe

Patent stripe

patents stripe