CID 47352

4-butyl-2'-fluorobenzophenone

Structural Information

Molecular Formula

C₁₇H₁₇FO

SMILES

CCCCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H17FO/c1-2-3-6-13-9-11-14(12-10-13)17(19)15-7-4-5-8-16(15)18/h4-5,7-12H,2-3,6H2,1H3

InChIKey

HBAUGXMMWXCUJD-UHFFFAOYSA-N

Compound name

(4-butylphenyl)-(2-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 256.12634 Da
Monoisotopic Mass: 5.2
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]+	257.133616	158.4
[M+Na]+	279.115558	165.6
[M-H]-	255.119064	163.6
[M+NH4]+	274.160163	175.3
[M+K]+	295.089498	161.0
[M+H-H2O]+	239.123600	149.9
[M+HCOO]-	301.124541	180.1
[M+CH3COO]-	315.140191	198.0
[M+Na-2H]-	277.101006	161.6
[M]+	256.12579142	158.3
[M]-	256.12688858	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe