CID 122929

32695-20-8

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂O

SMILES

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

InChI

InChI=1S/C10H12Cl2O/c1-7(2)13-10-4-3-8(6-11)5-9(10)12/h3-5,7H,6H2,1-2H3

InChIKey

XZECPLIMOPAQFE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 218.02652 Da
Monoisotopic Mass: 3.6
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]+	219.033796	142.0
[M+Na]+	241.015738	151.8
[M-H]-	217.019244	145.3
[M+NH4]+	236.060343	162.3
[M+K]+	256.989678	147.1
[M+H-H2O]+	201.023780	138.3
[M+HCOO]-	263.024721	155.9
[M+CH3COO]-	277.040371	188.0
[M+Na-2H]-	239.001186	146.0
[M]+	218.02597142	146.9
[M]-	218.02706858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe