CID 3047066

62897-64-7

Structural Information

Molecular Formula
C19H22Cl2O2
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(Cl)Cl
InChI
InChI=1S/C19H22Cl2O2/c1-3-13-23-17-11-7-15(8-12-17)18(19(20)21)14-5-9-16(10-6-14)22-4-2/h5-12,18-19H,3-4,13H2,1-2H3
InChIKey
UZMODPSQXRFYBN-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.09967 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10695 180.1
[M+Na]+ 375.08889 187.1
[M-H]- 351.09239 185.5
[M+NH4]+ 370.13349 194.5
[M+K]+ 391.06283 180.9
[M+H-H2O]+ 335.09693 173.5
[M+HCOO]- 397.09787 191.7
[M+CH3COO]- 411.11352 212.7
[M+Na-2H]- 373.07434 180.5
[M]+ 352.09912 187.0
[M]- 352.10022 187.0
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.