CID 169336

2-hydroxyethyl 2-(4-chlorophenoxy)-2-methylpropanoate

Structural Information

Molecular Formula
C12H15ClO4
SMILES
CC(C)(C(=O)OCCO)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H15ClO4/c1-12(2,11(15)16-8-7-14)17-10-5-3-9(13)4-6-10/h3-6,14H,7-8H2,1-2H3
InChIKey
RFEZILPHQJCCMV-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

258.0659 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07318 154.9
[M+Na]+ 281.05512 166.4
[M+NH4]+ 276.09972 161.6
[M+K]+ 297.02906 161.4
[M-H]- 257.05862 154.6
[M+Na-2H]- 279.04057 159.8
[M]+ 258.06535 156.6
[M]- 258.06645 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe