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

2
Patents

400.165 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17228 197.1
[M+Na]+ 423.15422 203.4
[M-H]- 399.15772 202.2
[M+NH4]+ 418.19882 207.5
[M+K]+ 439.12816 197.4
[M+H-H2O]+ 383.16226 184.8
[M+HCOO]- 445.16320 213.1
[M+CH3COO]- 459.17885 222.3
[M+Na-2H]- 421.13967 200.2
[M]+ 400.16445 195.9
[M]- 400.16555 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