CID 41821

Brn 1991792

Structural Information

Molecular Formula
C19H22Cl2O2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)(Cl)Cl
InChI
InChI=1S/C19H22Cl2O2/c1-4-22-16-10-6-14(7-11-16)18(19(3,20)21)15-8-12-17(13-9-15)23-5-2/h6-13,18H,4-5H2,1-3H3
InChIKey
OZIOBHBJPZGWTK-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-ethoxyphenyl)propyl]-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.09967 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10695 180.8
[M+Na]+ 375.08889 188.4
[M-H]- 351.09239 186.5
[M+NH4]+ 370.13349 195.4
[M+K]+ 391.06283 182.3
[M+H-H2O]+ 335.09693 174.4
[M+HCOO]- 397.09787 191.7
[M+CH3COO]- 411.11352 212.3
[M+Na-2H]- 373.07434 183.1
[M]+ 352.09912 187.8
[M]- 352.10022 187.8
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.