CID 3068478

3-phenoxy-4-fluorobenzyl 2-(4-chlorophenyl)-3-methylbutyl ether

Structural Information

Molecular Formula
C24H24ClFO2
SMILES
CC(C)C(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H24ClFO2/c1-17(2)22(19-9-11-20(25)12-10-19)16-27-15-18-8-13-23(26)24(14-18)28-21-6-4-3-5-7-21/h3-14,17,22H,15-16H2,1-2H3
InChIKey
GCRJRNWYHFBFML-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-3-methylbutoxy]methyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

398.1449 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15218 195.6
[M+Na]+ 421.13412 202.0
[M-H]- 397.13762 203.2
[M+NH4]+ 416.17872 207.0
[M+K]+ 437.10806 195.3
[M+H-H2O]+ 381.14216 185.3
[M+HCOO]- 443.14310 210.5
[M+CH3COO]- 457.15875 222.9
[M+Na-2H]- 419.11957 194.9
[M]+ 398.14435 199.6
[M]- 398.14545 199.6
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