CID 3066124

109523-99-1

Structural Information

Molecular Formula

C₁₅H₁₅ClO

SMILES

CCOCC1=CC=C(C=C1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H15ClO/c1-2-17-11-12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-10H,2,11H2,1H3

InChIKey

UUPPWGJCLZBUPO-UHFFFAOYSA-N

Compound name

1-chloro-3-[4-(ethoxymethyl)phenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 246.08115 Da
Monoisotopic Mass: 4.6
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]+	247.08843	153.7
[M+Na]+	269.07037	162.6
[M-H]-	245.07387	160.4
[M+NH4]+	264.11497	172.1
[M+K]+	285.04431	157.2
[M+H-H2O]+	229.07841	147.2
[M+HCOO]-	291.07935	173.4
[M+CH3COO]-	305.09500	193.1
[M+Na-2H]-	267.05582	159.3
[M]+	246.08060	157.5
[M]-	246.08170	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe