CID 8686

Erbon

Structural Information

Molecular Formula
C11H9Cl5O3
SMILES
CC(C(=O)OCCOC1=CC(=C(C=C1Cl)Cl)Cl)(Cl)Cl
InChI
InChI=1S/C11H9Cl5O3/c1-11(15,16)10(17)19-3-2-18-9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3
InChIKey
KMHZPJNVPCAUMN-UHFFFAOYSA-N
Compound name
2-(2,4,5-trichlorophenoxy)ethyl 2,2-dichloropropanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

0
References

7422
Patents

363.89944 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.90672 170.0
[M+Na]+ 386.88866 178.9
[M-H]- 362.89216 169.2
[M+NH4]+ 381.93326 183.4
[M+K]+ 402.86260 174.2
[M+H-H2O]+ 346.89670 167.8
[M+HCOO]- 408.89764 166.2
[M+CH3COO]- 422.91329 211.2
[M+Na-2H]- 384.87411 169.5
[M]+ 363.89889 174.0
[M]- 363.89999 174.0
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