CID 7944

Bis(2-chloro-1-methylethyl) ether

Structural Information

Molecular Formula

C₆H₁₂Cl₂O

SMILES

CC(CCl)OC(C)CCl

InChI

InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3

InChIKey

QCFYJCYNJLBDRT-UHFFFAOYSA-N

Compound name

1-chloro-2-(1-chloropropan-2-yloxy)propane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 22
References: 2842
Patents: 170.02652 Da
Monoisotopic Mass: 2.1
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]+	171.033796	132.3
[M+Na]+	193.015738	140.2
[M-H]-	169.019244	132.0
[M+NH4]+	188.060343	154.1
[M+K]+	208.989678	137.4
[M+H-H2O]+	153.023780	129.8
[M+HCOO]-	215.024721	144.9
[M+CH3COO]-	229.040371	179.7
[M+Na-2H]-	191.001186	135.9
[M]+	170.02597142	136.3
[M]-	170.02706858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe