CID 3049759

Brn 0833659

Structural Information

Molecular Formula
C20H18F2N2O
SMILES
C1CN(CCN1/C=C/2\CC3=C(C2=O)C=CC(=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H18F2N2O/c21-16-1-4-18(5-2-16)24-9-7-23(8-10-24)13-15-11-14-12-17(22)3-6-19(14)20(15)25/h1-6,12-13H,7-11H2/b15-13+
InChIKey
KMLDLGGCQCAIDW-FYWRMAATSA-N
Compound name
(2E)-5-fluoro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13873 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14601 181.4
[M+Na]+ 363.12795 189.2
[M-H]- 339.13145 186.3
[M+NH4]+ 358.17255 194.6
[M+K]+ 379.10189 181.3
[M+H-H2O]+ 323.13599 169.4
[M+HCOO]- 385.13693 195.5
[M+CH3COO]- 399.15258 190.5
[M+Na-2H]- 361.11340 179.4
[M]+ 340.13818 174.5
[M]- 340.13928 174.5
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.