CID 3067196

80853-94-7

Structural Information

Molecular Formula
C25H23Cl3O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(=C(Cl)Cl)Cl
InChI
InChI=1S/C25H23Cl3O3/c1-25(2,19-11-13-21(14-12-19)31-24(28)23(26)27)17-29-16-18-7-6-10-22(15-18)30-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
InChIKey
PTEHLSYAAUFHCJ-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(1,2,2-trichloroethenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

476.0713 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.07858 208.0
[M+Na]+ 499.06052 214.1
[M-H]- 475.06402 214.9
[M+NH4]+ 494.10512 216.9
[M+K]+ 515.03446 206.8
[M+H-H2O]+ 459.06856 199.8
[M+HCOO]- 521.06950 212.3
[M+CH3COO]- 535.08515 230.8
[M+Na-2H]- 497.04597 207.6
[M]+ 476.07075 215.3
[M]- 476.07185 215.3
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