CID 120392

Hc 1531

Structural Information

Molecular Formula
C11H13Cl3O3
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(CO)(CO)CCl
InChI
InChI=1S/C11H13Cl3O3/c12-4-11(5-15,6-16)7-17-10-2-1-8(13)3-9(10)14/h1-3,15-16H,4-7H2
InChIKey
JNYXTQUTBQOXIR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-[(2,4-dichlorophenoxy)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.99304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00032 158.4
[M+Na]+ 320.98226 167.2
[M-H]- 296.98576 158.0
[M+NH4]+ 316.02686 174.1
[M+K]+ 336.95620 160.9
[M+H-H2O]+ 280.99030 155.7
[M+HCOO]- 342.99124 163.5
[M+CH3COO]- 357.00689 194.7
[M+Na-2H]- 318.96771 161.9
[M]+ 297.99249 162.9
[M]- 297.99359 162.9
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.