CID 22715

6288-80-8

Structural Information

Molecular Formula

C₁₀H₁₃Cl₃O₂

SMILES

C#CC1(CCCCC1)OC(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C10H13Cl3O2/c1-2-9(6-4-3-5-7-9)15-8(14)10(11,12)13/h1,8,14H,3-7H2

InChIKey

CZFFEFPXWZOXPV-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-1-(1-ethynylcyclohexyl)oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.9981 Da
Monoisotopic Mass: 3.1
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]+	271.005376	154.6
[M+Na]+	292.987318	164.3
[M-H]-	268.990824	154.5
[M+NH4]+	288.031923	171.6
[M+K]+	308.961258	156.5
[M+H-H2O]+	252.995360	147.5
[M+HCOO]-	314.996301	153.5
[M+CH3COO]-	329.011951	196.6
[M+Na-2H]-	290.972766	157.2
[M]+	269.99755142	148.5
[M]-	269.99864858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe