CID 139457401

Meof3b

Structural Information

Molecular Formula

C₁₆H₁₇FO

SMILES

CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)OC)F

InChI

InChI=1S/C16H17FO/c1-3-4-12-5-10-15(16(17)11-12)13-6-8-14(18-2)9-7-13/h5-11H,3-4H2,1-2H3

InChIKey

CGELRAOGSMXEGD-UHFFFAOYSA-N

Compound name

2-fluoro-1-(4-methoxyphenyl)-4-propylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 244.12634 Da
Monoisotopic Mass: 5.0
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]+	245.13362	154.4
[M+Na]+	267.11556	163.1
[M-H]-	243.11906	160.1
[M+NH4]+	262.16016	172.3
[M+K]+	283.08950	158.8
[M+H-H2O]+	227.12360	146.2
[M+HCOO]-	289.12454	177.3
[M+CH3COO]-	303.14019	196.2
[M+Na-2H]-	265.10101	158.6
[M]+	244.12579	155.7
[M]-	244.12689	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe