CID 3067111

1-(4-fluorophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)benzene

Structural Information

Molecular Formula
C24H24F2O2
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H24F2O2/c1-3-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26)12-14-22/h4-15H,3,16-17H2,1-2H3
InChIKey
KBCPBRZMDBIRRH-UHFFFAOYSA-N
Compound name
1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

382.17444 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18172 193.8
[M+Na]+ 405.16366 200.5
[M-H]- 381.16716 200.4
[M+NH4]+ 400.20826 205.1
[M+K]+ 421.13760 194.4
[M+H-H2O]+ 365.17170 182.1
[M+HCOO]- 427.17264 212.5
[M+CH3COO]- 441.18829 220.9
[M+Na-2H]- 403.14911 195.9
[M]+ 382.17389 194.8
[M]- 382.17499 194.8
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