CID 3027314

Benzene, 1-((2-methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxy-

Structural Information

Molecular Formula
C24H23F3O2S
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)SC(F)(F)F
InChI
InChI=1S/C24H23F3O2S/c1-23(2,19-11-13-22(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-21(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
InChIKey
WIVQDWXVDWSWDU-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

432.1371 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14438 202.7
[M+Na]+ 455.12632 209.1
[M-H]- 431.12982 207.7
[M+NH4]+ 450.17092 212.4
[M+K]+ 471.10026 202.4
[M+H-H2O]+ 415.13436 190.5
[M+HCOO]- 477.13530 214.1
[M+CH3COO]- 491.15095 225.6
[M+Na-2H]- 453.11177 203.7
[M]+ 432.13655 203.9
[M]- 432.13765 203.9
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