CID 41822

Brn 1989101

Structural Information

Molecular Formula
C20H25ClO2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)(C)Cl
InChI
InChI=1S/C20H25ClO2/c1-5-22-17-11-7-15(8-12-17)19(20(3,4)21)16-9-13-18(14-10-16)23-6-2/h7-14,19H,5-6H2,1-4H3
InChIKey
DIJUBVIDRZKMKE-UHFFFAOYSA-N
Compound name
1-[2-chloro-1-(4-ethoxyphenyl)-2-methylpropyl]-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1543 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16158 179.9
[M+Na]+ 355.14352 186.7
[M-H]- 331.14702 186.2
[M+NH4]+ 350.18812 194.8
[M+K]+ 371.11746 181.7
[M+H-H2O]+ 315.15156 172.8
[M+HCOO]- 377.15250 195.6
[M+CH3COO]- 391.16815 211.1
[M+Na-2H]- 353.12897 182.4
[M]+ 332.15375 186.0
[M]- 332.15485 186.0
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.