CID 10936

Dormiol

Structural Information

Molecular Formula
C7H13Cl3O2
SMILES
CCC(C)(C)OC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C7H13Cl3O2/c1-4-6(2,3)12-5(11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKey
VSYFHDGUUKGQEW-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-(2-methylbutan-2-yloxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.99811 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00539 145.2
[M+Na]+ 256.98733 153.3
[M-H]- 232.99083 143.3
[M+NH4]+ 252.03193 163.9
[M+K]+ 272.96127 149.0
[M+H-H2O]+ 216.99537 144.2
[M+HCOO]- 278.99631 149.0
[M+CH3COO]- 293.01196 186.7
[M+Na-2H]- 254.97278 149.5
[M]+ 233.99756 148.6
[M]- 233.99866 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.