CID 24843409

Dichlorprop-p-2-ethylhexyl

Structural Information

Molecular Formula
C17H24Cl2O3
SMILES
CCCCC(CC)COC(=O)[C@@H](C)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C17H24Cl2O3/c1-4-6-7-13(5-2)11-21-17(20)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3/t12-,13?/m1/s1
InChIKey
CEEDFYRUPAWDOU-PZORYLMUSA-N
Compound name
2-ethylhexyl (2R)-2-(2,4-dichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

710
Patents

346.11026 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11754 177.8
[M+Na]+ 369.09948 184.4
[M-H]- 345.10298 180.3
[M+NH4]+ 364.14408 192.9
[M+K]+ 385.07342 179.5
[M+H-H2O]+ 329.10752 172.8
[M+HCOO]- 391.10846 188.3
[M+CH3COO]- 405.12411 212.5
[M+Na-2H]- 367.08493 175.9
[M]+ 346.10971 186.4
[M]- 346.11081 186.4
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