CID 3011019

Schembl7270550

Structural Information

Molecular Formula

C₁₇H₁₇FO

SMILES

C1=CC=C(C=C1)CCC(=O)C(CC2=CC=CC=C2)F

InChI

InChI=1S/C17H17FO/c18-16(13-15-9-5-2-6-10-15)17(19)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2

InChIKey

AZVYCMVZWZUNIQ-UHFFFAOYSA-N

Compound name

2-fluoro-1,5-diphenylpentan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 256.12634 Da
Monoisotopic Mass: 4.2
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]+	257.13362	159.6
[M+Na]+	279.11556	164.7
[M-H]-	255.11906	164.1
[M+NH4]+	274.16016	175.7
[M+K]+	295.08950	160.4
[M+H-H2O]+	239.12360	150.8
[M+HCOO]-	301.12454	180.3
[M+CH3COO]-	315.14019	196.6
[M+Na-2H]-	277.10101	162.9
[M]+	256.12579	158.1
[M]-	256.12689	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe