CID 94212

1606-83-3

Structural Information

Molecular Formula

C₁₀H₁₆Cl₂O₄

SMILES

C(C#CCOCC(CCl)O)OCC(CCl)O

InChI

InChI=1S/C10H16Cl2O4/c11-5-9(13)7-15-3-1-2-4-16-8-10(14)6-12/h9-10,13-14H,3-8H2

InChIKey

FPNVDCLFXCGXLH-UHFFFAOYSA-N

Compound name

1-chloro-3-[4-(3-chloro-2-hydroxypropoxy)but-2-ynoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 270.04257 Da
Monoisotopic Mass: -0.1
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]+	271.04985	148.1
[M+Na]+	293.03179	156.8
[M+NH4]+	288.07639	150.7
[M+K]+	309.00573	149.5
[M-H]-	269.03529	137.8
[M+Na-2H]-	291.01724	147.0
[M]+	270.04202	145.8
[M]-	270.04312	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe