CID 109618

68140-44-3

Structural Information

Molecular Formula
C22H35Cl3O2
SMILES
CC(=CCCC(=CCOC(C(Cl)(Cl)Cl)OCC=C(C)CCC=C(C)C)C)C
InChI
InChI=1S/C22H35Cl3O2/c1-17(2)9-7-11-19(5)13-15-26-21(22(23,24)25)27-16-14-20(6)12-8-10-18(3)4/h9-10,13-14,21H,7-8,11-12,15-16H2,1-6H3
InChIKey
GHZZIFJPGVHZTE-UHFFFAOYSA-N
Compound name
3,7-dimethyl-1-[2,2,2-trichloro-1-(3,7-dimethylocta-2,6-dienoxy)ethoxy]octa-2,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.17026 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.17754 203.9
[M+Na]+ 459.15948 207.2
[M-H]- 435.16298 201.4
[M+NH4]+ 454.20408 215.7
[M+K]+ 475.13342 199.0
[M+H-H2O]+ 419.16752 200.9
[M+HCOO]- 481.16846 203.7
[M+CH3COO]- 495.18411 228.0
[M+Na-2H]- 457.14493 196.4
[M]+ 436.16971 210.6
[M]- 436.17081 210.6
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

No patent data available for this compound.