CID 12249109

40141-12-6

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

CC(C)OC1=CC=C(C=C1)CCl

InChI

InChI=1S/C10H13ClO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3

InChIKey

MNWIWTZKCATVSP-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-4-propan-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 184.06549 Da
Monoisotopic Mass: 3.1
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]+	185.07277	137.1
[M+Na]+	207.05471	145.6
[M-H]-	183.05821	140.8
[M+NH4]+	202.09931	158.2
[M+K]+	223.02865	142.5
[M+H-H2O]+	167.06275	132.5
[M+HCOO]-	229.06369	156.1
[M+CH3COO]-	243.07934	182.2
[M+Na-2H]-	205.04016	142.5
[M]+	184.06494	140.6
[M]-	184.06604	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe