CID 214767

Brn 2283929

Structural Information

Molecular Formula
C18H19Cl3O
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(Cl)(Cl)Cl
InChI
InChI=1S/C18H19Cl3O/c1-3-12-22-16-10-8-15(9-11-16)17(18(19,20)21)14-6-4-13(2)5-7-14/h4-11,17H,3,12H2,1-2H3
InChIKey
YVADVIBCYDHUNZ-UHFFFAOYSA-N
Compound name
1-methyl-4-[2,2,2-trichloro-1-(4-propoxyphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.05014 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05742 179.1
[M+Na]+ 379.03936 187.2
[M-H]- 355.04286 183.6
[M+NH4]+ 374.08396 193.6
[M+K]+ 395.01330 179.9
[M+H-H2O]+ 339.04740 173.4
[M+HCOO]- 401.04834 184.7
[M+CH3COO]- 415.06399 211.5
[M+Na-2H]- 377.02481 180.7
[M]+ 356.04959 184.4
[M]- 356.05069 184.4
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

No patent data available for this compound.