CID 23871

Brn 1993183

Structural Information

Molecular Formula
C18H20Cl2O2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(Cl)Cl
InChI
InChI=1S/C18H20Cl2O2/c1-3-21-15-9-5-13(6-10-15)17(18(19)20)14-7-11-16(12-8-14)22-4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKey
AEQAQDMDEHNZNC-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.08405 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09133 175.5
[M+Na]+ 361.07327 182.8
[M-H]- 337.07677 181.0
[M+NH4]+ 356.11787 190.4
[M+K]+ 377.04721 176.9
[M+H-H2O]+ 321.08131 169.0
[M+HCOO]- 383.08225 187.4
[M+CH3COO]- 397.09790 209.8
[M+Na-2H]- 359.05872 176.4
[M]+ 338.08350 182.0
[M]- 338.08460 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.