CID 3067145

Benzene, 1-phenoxy-3-((2-(3-(trifluoromethyl)phenyl)-2-methylpropoxy)methyl)-

Structural Information

Molecular Formula
C24H23F3O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C24H23F3O2/c1-23(2,19-9-7-10-20(15-19)24(25,26)27)17-28-16-18-8-6-13-22(14-18)29-21-11-4-3-5-12-21/h3-15H,16-17H2,1-2H3
InChIKey
WDNOMLRWCFDBHK-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

400.165 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.172276 197.1
[M+Na]+ 423.154218 203.4
[M-H]- 399.157724 202.2
[M+NH4]+ 418.198823 207.5
[M+K]+ 439.128158 197.4
[M+H-H2O]+ 383.162260 184.8
[M+HCOO]- 445.163201 213.1
[M+CH3COO]- 459.178851 222.3
[M+Na-2H]- 421.139666 200.2
[M]+ 400.16445142 195.9
[M]- 400.16554858 195.9
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