CID 203278

Hc 1538

Structural Information

Molecular Formula
C12H17ClO3
SMILES
CC1=CC=C(C=C1)OCC(CO)(CO)CCl
InChI
InChI=1S/C12H17ClO3/c1-10-2-4-11(5-3-10)16-9-12(6-13,7-14)8-15/h2-5,14-15H,6-9H2,1H3
InChIKey
JCJCAYZHYUTZGO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-[(4-methylphenoxy)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08662 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09390 153.6
[M+Na]+ 267.07584 165.3
[M+NH4]+ 262.12044 160.9
[M+K]+ 283.04978 159.3
[M-H]- 243.07934 153.8
[M+Na-2H]- 265.06129 158.8
[M]+ 244.08607 155.5
[M]- 244.08717 155.5
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.