CID 7208

2-(2,4-dichlorophenoxy)ethyl benzoate

Structural Information

Molecular Formula
C15H12Cl2O3
SMILES
C1=CC=C(C=C1)C(=O)OCCOC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl2O3/c16-12-6-7-14(13(17)10-12)19-8-9-20-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKey
LGURYBCSJPXHTF-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2951
Patents

310.01636 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02364 164.2
[M+Na]+ 333.00558 173.4
[M-H]- 309.00908 170.3
[M+NH4]+ 328.05018 180.2
[M+K]+ 348.97952 167.8
[M+H-H2O]+ 293.01362 158.1
[M+HCOO]- 355.01456 178.5
[M+CH3COO]- 369.03021 200.8
[M+Na-2H]- 330.99103 168.0
[M]+ 310.01581 170.8
[M]- 310.01691 170.8
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