CID 3068497

3-phenoxy-4-fluorobenzyl 2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C25H26ClFO3
SMILES
CCOC1=C(C=C(C=C1)C(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=CC=C3)Cl
InChI
InChI=1S/C25H26ClFO3/c1-4-29-23-13-11-19(15-21(23)26)25(2,3)17-28-16-18-10-12-22(27)24(14-18)30-20-8-6-5-7-9-20/h5-15H,4,16-17H2,1-3H3
InChIKey
WNRCEYDLTGUFFZ-UHFFFAOYSA-N
Compound name
2-chloro-1-ethoxy-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

428.15546 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.16274 204.4
[M+Na]+ 451.14468 212.1
[M-H]- 427.14818 212.4
[M+NH4]+ 446.18928 215.1
[M+K]+ 467.11862 205.6
[M+H-H2O]+ 411.15272 193.9
[M+HCOO]- 473.15366 219.5
[M+CH3COO]- 487.16931 227.8
[M+Na-2H]- 449.13013 205.6
[M]+ 428.15491 211.1
[M]- 428.15601 211.1
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