CID 137928370

4-(trichloromethyl)oxan-4-ol

Structural Information

Molecular Formula

C₆H₉Cl₃O₂

SMILES

C1COCCC1(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C6H9Cl3O2/c7-6(8,9)5(10)1-3-11-4-2-5/h10H,1-4H2

InChIKey

HWJVEYYSLHKMCN-UHFFFAOYSA-N

Compound name

4-(trichloromethyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.96681 Da
Monoisotopic Mass: 1.6
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]+	218.97409	138.7
[M+Na]+	240.95603	146.1
[M-H]-	216.95953	139.7
[M+NH4]+	236.00063	158.1
[M+K]+	256.92997	142.7
[M+H-H2O]+	200.96407	137.2
[M+HCOO]-	262.96501	141.5
[M+CH3COO]-	276.98066	178.6
[M+Na-2H]-	238.94148	145.6
[M]+	217.96626	137.4
[M]-	217.96736	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.