CID 3068494

83493-38-3

Structural Information

Molecular Formula
C26H29FO2S
SMILES
CC(C)SC1=CC=C(C=C1)C(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C26H29FO2S/c1-19(2)30-23-13-11-21(12-14-23)26(3,4)18-28-17-20-10-15-24(27)25(16-20)29-22-8-6-5-7-9-22/h5-16,19H,17-18H2,1-4H3
InChIKey
MOLYSLXGBVCOBL-UHFFFAOYSA-N
Compound name
1-fluoro-4-[[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propoxy]methyl]-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

424.18723 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19451 204.5
[M+Na]+ 447.17645 209.9
[M-H]- 423.17995 212.0
[M+NH4]+ 442.22105 214.7
[M+K]+ 463.15039 203.7
[M+H-H2O]+ 407.18449 193.7
[M+HCOO]- 469.18543 217.8
[M+CH3COO]- 483.20108 228.3
[M+Na-2H]- 445.16190 203.0
[M]+ 424.18668 208.9
[M]- 424.18778 208.9
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