CID 3066109

109523-86-6

Structural Information

Molecular Formula

C₁₇H₁₉ClO

SMILES

CCCCOCC1=CC=C(C=C1)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H19ClO/c1-2-3-12-19-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)18/h4-11H,2-3,12-13H2,1H3

InChIKey

HJCNCEDCDBDWLK-UHFFFAOYSA-N

Compound name

1-(butoxymethyl)-4-(2-chlorophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 274.11246 Da
Monoisotopic Mass: 5.4
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]+	275.11974	163.1
[M+Na]+	297.10168	171.2
[M-H]-	273.10518	169.4
[M+NH4]+	292.14628	180.4
[M+K]+	313.07562	165.2
[M+H-H2O]+	257.10972	156.1
[M+HCOO]-	319.11066	182.1
[M+CH3COO]-	333.12631	199.1
[M+Na-2H]-	295.08713	167.6
[M]+	274.11191	167.6
[M]-	274.11301	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe