CID 41820

56265-22-6

Structural Information

Molecular Formula
C19H23ClO2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)Cl
InChI
InChI=1S/C19H23ClO2/c1-4-21-17-10-6-15(7-11-17)19(14(3)20)16-8-12-18(13-9-16)22-5-2/h6-14,19H,4-5H2,1-3H3
InChIKey
XALCLEMPULMGDC-UHFFFAOYSA-N
Compound name
1-[2-chloro-1-(4-ethoxyphenyl)propyl]-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13867 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14595 175.3
[M+Na]+ 341.12789 181.7
[M-H]- 317.13139 181.4
[M+NH4]+ 336.17249 190.5
[M+K]+ 357.10183 176.9
[M+H-H2O]+ 301.13593 167.9
[M+HCOO]- 363.13687 191.8
[M+CH3COO]- 377.15252 208.6
[M+Na-2H]- 339.11334 176.3
[M]+ 318.13812 180.8
[M]- 318.13922 180.8
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.