CID 3067127

3-phenoxybenzyl 2-(4-chlorophenyl)-2-methylpropyl thioether

Structural Information

Molecular Formula
C23H23ClOS
SMILES
CC(C)(CSCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H23ClOS/c1-23(2,19-11-13-20(24)14-12-19)17-26-16-18-7-6-10-22(15-18)25-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3
InChIKey
DLWSSHVBFZFAHG-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methylsulfanyl]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

382.1158 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12308 191.3
[M+Na]+ 405.10502 198.7
[M-H]- 381.10852 200.5
[M+NH4]+ 400.14962 204.4
[M+K]+ 421.07896 190.8
[M+H-H2O]+ 365.11306 182.9
[M+HCOO]- 427.11400 203.2
[M+CH3COO]- 441.12965 216.6
[M+Na-2H]- 403.09047 193.1
[M]+ 382.11525 196.9
[M]- 382.11635 196.9
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