CID 38307

Bis(2-chloroisopropyl) ether

Structural Information

Molecular Formula

C₆H₁₂Cl₂O

SMILES

CC(C)(OC(C)(C)Cl)Cl

InChI

InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3

InChIKey

BULHJTXRZFEUDQ-UHFFFAOYSA-N

Compound name

2-chloro-2-(2-chloropropan-2-yloxy)propane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1
References: 260
Patents: 170.02652 Da
Monoisotopic Mass: 2.7
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]+	171.033796	132.6
[M+Na]+	193.015738	141.9
[M-H]-	169.019244	133.0
[M+NH4]+	188.060343	154.8
[M+K]+	208.989678	139.0
[M+H-H2O]+	153.023780	131.0
[M+HCOO]-	215.024721	144.0
[M+CH3COO]-	229.040371	178.9
[M+Na-2H]-	191.001186	140.0
[M]+	170.02597142	136.9
[M]-	170.02706858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe