CID 3067119

80843-64-7

Structural Information

Molecular Formula
C22H23ClO2
SMILES
CC(C)(COCC1=COC(=C1)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H23ClO2/c1-22(2,19-8-10-20(23)11-9-19)16-24-14-18-13-21(25-15-18)12-17-6-4-3-5-7-17/h3-11,13,15H,12,14,16H2,1-2H3
InChIKey
IAIBEAZJJXZPFA-UHFFFAOYSA-N
Compound name
2-benzyl-4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.13867 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14595 187.5
[M+Na]+ 377.12789 195.0
[M-H]- 353.13139 197.5
[M+NH4]+ 372.17249 201.6
[M+K]+ 393.10183 189.7
[M+H-H2O]+ 337.13593 179.7
[M+HCOO]- 399.13687 204.4
[M+CH3COO]- 413.15252 212.0
[M+Na-2H]- 375.11334 190.2
[M]+ 354.13812 193.4
[M]- 354.13922 193.4
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

patents stripe