CID 13686

2-chloroethyl phenoxyacetate

Structural Information

Molecular Formula
C10H11ClO3
SMILES
C1=CC=C(C=C1)OCC(=O)OCCCl
InChI
InChI=1S/C10H11ClO3/c11-6-7-13-10(12)8-14-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
DOHMOKZZEYNNHH-UHFFFAOYSA-N
Compound name
2-chloroethyl 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03967 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.7
[M+Na]+ 237.02889 150.5
[M-H]- 213.03239 146.1
[M+NH4]+ 232.07349 162.1
[M+K]+ 253.00283 147.8
[M+H-H2O]+ 197.03693 137.4
[M+HCOO]- 259.03787 162.4
[M+CH3COO]- 273.05352 183.5
[M+Na-2H]- 235.01434 148.8
[M]+ 214.03912 148.0
[M]- 214.04022 148.0
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.