CID 214768

34197-08-5

Structural Information

Molecular Formula
C17H17Cl3O2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
InChI
InChI=1S/C17H17Cl3O2/c1-3-22-15-10-6-13(7-11-15)16(17(18,19)20)12-4-8-14(21-2)9-5-12/h4-11,16H,3H2,1-2H3
InChIKey
SRITVFHWFZYUPZ-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.02942 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03670 177.1
[M+Na]+ 381.01864 185.6
[M-H]- 357.02214 181.9
[M+NH4]+ 376.06324 191.5
[M+K]+ 396.99258 179.2
[M+H-H2O]+ 341.02668 171.6
[M+HCOO]- 403.02762 183.3
[M+CH3COO]- 417.04327 210.6
[M+Na-2H]- 379.00409 179.4
[M]+ 358.02887 183.5
[M]- 358.02997 183.5
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.