CID 18325

2,4,5-t pgbee

Structural Information

Molecular Formula
C15H19Cl3O4
SMILES
CCCCOC(C)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C15H19Cl3O4/c1-3-4-5-20-10(2)8-22-15(19)9-21-14-7-12(17)11(16)6-13(14)18/h6-7,10H,3-5,8-9H2,1-2H3
InChIKey
OFYUBGDUYQVZHD-UHFFFAOYSA-N
Compound name
2-butoxypropyl 2-(2,4,5-trichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

527
Patents

368.03488 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04216 174.9
[M+Na]+ 391.02410 183.4
[M-H]- 367.02760 177.0
[M+NH4]+ 386.06870 189.5
[M+K]+ 406.99804 178.4
[M+H-H2O]+ 351.03214 171.1
[M+HCOO]- 413.03308 182.0
[M+CH3COO]- 427.04873 213.6
[M+Na-2H]- 389.00955 174.0
[M]+ 368.03433 185.1
[M]- 368.03543 185.1
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