CID 3067122

80843-67-0

Structural Information

Molecular Formula
C23H23ClOS
SMILES
CC(C)(COCC1=CC(=CC=C1)SC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H23ClOS/c1-23(2,19-11-13-20(24)14-12-19)17-25-16-18-7-6-10-22(15-18)26-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3
InChIKey
UQMKJXROQWLADA-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-methyl-1-[(3-phenylsulfanylphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

382.1158 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.123076 191.3
[M+Na]+ 405.105018 198.7
[M-H]- 381.108524 200.5
[M+NH4]+ 400.149623 204.4
[M+K]+ 421.078958 190.8
[M+H-H2O]+ 365.113060 182.9
[M+HCOO]- 427.114001 203.2
[M+CH3COO]- 441.129651 216.6
[M+Na-2H]- 403.090466 193.1
[M]+ 382.11525142 196.9
[M]- 382.11634858 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