CID 120389

Hc 1511

Structural Information

Molecular Formula
C11H14Cl2O3
SMILES
C1=CC(=CC=C1OCC(CO)(CO)CCl)Cl
InChI
InChI=1S/C11H14Cl2O3/c12-5-11(6-14,7-15)8-16-10-3-1-9(13)2-4-10/h1-4,14-15H,5-8H2
InChIKey
SDIQUCAFHQLQBM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-[(4-chlorophenoxy)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03928 155.0
[M+Na]+ 287.02122 167.4
[M+NH4]+ 282.06582 162.5
[M+K]+ 302.99516 160.9
[M-H]- 263.02472 155.1
[M+Na-2H]- 285.00667 160.4
[M]+ 264.03145 157.4
[M]- 264.03255 157.4
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.