CID 159975

24771-52-6

Structural Information

Molecular Formula

C₁₁H₂₂Cl₂O₄

SMILES

C(CCOCC(CCl)O)CCOCC(CCl)O

InChI

InChI=1S/C11H22Cl2O4/c12-6-10(14)8-16-4-2-1-3-5-17-9-11(15)7-13/h10-11,14-15H,1-9H2

InChIKey

CSVIHZAMDIVWRG-UHFFFAOYSA-N

Compound name

1-chloro-3-[5-(3-chloro-2-hydroxypropoxy)pentoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.0895 Da
Monoisotopic Mass: 0.9
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]+	289.09678	162.3
[M+Na]+	311.07872	167.2
[M-H]-	287.08222	158.5
[M+NH4]+	306.12332	177.9
[M+K]+	327.05266	162.9
[M+H-H2O]+	271.08676	158.9
[M+HCOO]-	333.08770	171.2
[M+CH3COO]-	347.10335	194.8
[M+Na-2H]-	309.06417	162.5
[M]+	288.08895	168.9
[M]-	288.09005	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe