CID 2778990

27064-89-7

Structural Information

Molecular Formula
C17H19FN2
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKey
KKMSCNTZDCYNSC-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)-phenylmethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

270.15323 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16051 163.6
[M+Na]+ 293.14245 167.3
[M-H]- 269.14595 166.4
[M+NH4]+ 288.18705 175.3
[M+K]+ 309.11639 161.1
[M+H-H2O]+ 253.15049 152.3
[M+HCOO]- 315.15143 177.6
[M+CH3COO]- 329.16708 172.2
[M+Na-2H]- 291.12790 166.6
[M]+ 270.15268 154.5
[M]- 270.15378 154.5
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