CID 139062

7700-27-8

Structural Information

Molecular Formula

C₁₃H₁₁ClO

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

OBCBJNFGAMHBTC-UHFFFAOYSA-N

Compound name

1-chloro-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 210
Patents: 218.04984 Da
Monoisotopic Mass: 4.4
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]+	219.05712	144.7
[M+Na]+	241.03906	153.5
[M-H]-	217.04256	151.3
[M+NH4]+	236.08366	163.9
[M+K]+	257.01300	148.5
[M+H-H2O]+	201.04710	138.4
[M+HCOO]-	263.04804	165.1
[M+CH3COO]-	277.06369	186.1
[M+Na-2H]-	239.02451	152.1
[M]+	218.04929	147.4
[M]-	218.05039	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe