CID 61299

Kuron

Structural Information

Molecular Formula
C16H21Cl3O4
SMILES
CCCCOCC(C)OC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C16H21Cl3O4/c1-4-5-6-21-9-10(2)22-16(20)11(3)23-15-8-13(18)12(17)7-14(15)19/h7-8,10-11H,4-6,9H2,1-3H3
InChIKey
FMFKNGWZEQOWNK-UHFFFAOYSA-N
Compound name
1-butoxypropan-2-yl 2-(2,4,5-trichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8287
Patents

382.05054 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05782 178.2
[M+Na]+ 405.03976 186.1
[M-H]- 381.04326 180.3
[M+NH4]+ 400.08436 192.2
[M+K]+ 421.01370 181.3
[M+H-H2O]+ 365.04780 174.5
[M+HCOO]- 427.04874 184.2
[M+CH3COO]- 441.06439 217.2
[M+Na-2H]- 403.02521 175.8
[M]+ 382.04999 188.4
[M]- 382.05109 188.4
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

patents stripe