CID 3068488

83493-19-0

Structural Information

Molecular Formula
C25H26ClFO2
SMILES
CCC(CC)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H26ClFO2/c1-3-25(4-2,20-11-13-21(26)14-12-20)18-28-17-19-10-15-23(27)24(16-19)29-22-8-6-5-7-9-22/h5-16H,3-4,17-18H2,1-2H3
InChIKey
RDLJZABORXITRB-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-2-ethylbutoxy]methyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

412.16052 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.16780 201.5
[M+Na]+ 435.14974 208.4
[M-H]- 411.15324 209.0
[M+NH4]+ 430.19434 212.5
[M+K]+ 451.12368 201.0
[M+H-H2O]+ 395.15778 190.9
[M+HCOO]- 457.15872 216.3
[M+CH3COO]- 471.17437 224.6
[M+Na-2H]- 433.13519 203.2
[M]+ 412.15997 206.3
[M]- 412.16107 206.3
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