CID 9885748

Ef-24

Structural Information

Molecular Formula

C₁₉H₁₅F₂NO

SMILES

C\1NC/C(=C\C2=CC=CC=C2F)/C(=O)/C1=C/C3=CC=CC=C3F

InChI

InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+

InChIKey

NIVYQYSNRUIFIF-KAVGSWPWSA-N

Compound name

(3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 71
References: 41
Patents: 311.11218 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.11946	172.6
[M+Na]+	334.10140	179.7
[M-H]-	310.10490	176.4
[M+NH4]+	329.14600	184.8
[M+K]+	350.07534	171.2
[M+H-H2O]+	294.10944	161.5
[M+HCOO]-	356.11038	188.0
[M+CH3COO]-	370.12603	181.8
[M+Na-2H]-	332.08685	172.7
[M]+	311.11163	163.7
[M]-	311.11273	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe