CID 70166

Brn 2559566

Structural Information

Molecular Formula
C11H15ClO4
SMILES
C1=CC=C(C(=C1)OCC(CO)(CO)CO)Cl
InChI
InChI=1S/C11H15ClO4/c12-9-3-1-2-4-10(9)16-8-11(5-13,6-14)7-15/h1-4,13-15H,5-8H2
InChIKey
XZSZWIVHLAUZLZ-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06589 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07317 152.2
[M+Na]+ 269.05511 163.0
[M+NH4]+ 264.09971 158.7
[M+K]+ 285.02905 158.1
[M-H]- 245.05861 151.3
[M+Na-2H]- 267.04056 156.6
[M]+ 246.06534 153.6
[M]- 246.06644 153.6
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.