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 153.8
[M+Na]+ 287.02122 161.9
[M-H]- 263.02472 154.1
[M+NH4]+ 282.06582 170.6
[M+K]+ 302.99516 156.2
[M+H-H2O]+ 247.02926 150.2
[M+HCOO]- 309.03020 164.3
[M+CH3COO]- 323.04585 188.2
[M+Na-2H]- 285.00667 158.9
[M]+ 264.03145 157.9
[M]- 264.03255 157.9
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.