CID 3066107

109523-84-4

Structural Information

Molecular Formula

C₁₄H₁₃ClO

SMILES

COCC1=CC=C(C=C1)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H13ClO/c1-16-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9H,10H2,1H3

InChIKey

IVJFMDRPPCDFCM-UHFFFAOYSA-N

Compound name

1-chloro-2-[4-(methoxymethyl)phenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 232.06549 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]+	233.07277	149.0
[M+Na]+	255.05471	158.4
[M-H]-	231.05821	155.8
[M+NH4]+	250.09931	168.0
[M+K]+	271.02865	153.2
[M+H-H2O]+	215.06275	142.7
[M+HCOO]-	277.06369	169.0
[M+CH3COO]-	291.07934	190.1
[M+Na-2H]-	253.04016	155.2
[M]+	232.06494	152.4
[M]-	232.06604	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe