CID 3047067

62897-69-2

Structural Information

Molecular Formula
C20H24Cl2O2
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)(Cl)Cl
InChI
InChI=1S/C20H24Cl2O2/c1-4-14-24-18-12-8-16(9-13-18)19(20(3,21)22)15-6-10-17(11-7-15)23-5-2/h6-13,19H,4-5,14H2,1-3H3
InChIKey
HMTSTSLVHLFBDL-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-ethoxyphenyl)propyl]-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11533 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12261 185.5
[M+Na]+ 389.10455 192.6
[M-H]- 365.10805 191.0
[M+NH4]+ 384.14915 199.5
[M+K]+ 405.07849 186.3
[M+H-H2O]+ 349.11259 178.8
[M+HCOO]- 411.11353 196.0
[M+CH3COO]- 425.12918 215.2
[M+Na-2H]- 387.09000 187.2
[M]+ 366.11478 192.7
[M]- 366.11588 192.7
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.