CID 3042524

59900-50-4

Structural Information

Molecular Formula
C20H25ClO2
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)Cl
InChI
InChI=1S/C20H25ClO2/c1-4-14-23-19-12-8-17(9-13-19)20(15(3)21)16-6-10-18(11-7-16)22-5-2/h6-13,15,20H,4-5,14H2,1-3H3
InChIKey
WAMVWYBKJXHUJW-UHFFFAOYSA-N
Compound name
1-[2-chloro-1-(4-ethoxyphenyl)propyl]-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1543 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16158 180.0
[M+Na]+ 355.14352 186.0
[M-H]- 331.14702 185.9
[M+NH4]+ 350.18812 194.6
[M+K]+ 371.11746 181.0
[M+H-H2O]+ 315.15156 172.4
[M+HCOO]- 377.15250 196.2
[M+CH3COO]- 391.16815 211.5
[M+Na-2H]- 353.12897 180.4
[M]+ 332.15375 185.8
[M]- 332.15485 185.8
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.