CID 4425676

882079-40-5

Structural Information

Molecular Formula
C21H15Cl3O2S
SMILES
C1=CC(=CC=C1C(=O)CSC2=CC=C(C=C2)Cl)OCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H15Cl3O2S/c22-16-4-8-18(9-5-16)27-13-21(25)15-2-6-17(7-3-15)26-12-14-1-10-19(23)20(24)11-14/h1-11H,12-13H2
InChIKey
CSQWLBKYVJNKJG-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.98584 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.99312 192.4
[M+Na]+ 458.97506 201.7
[M-H]- 434.97856 200.5
[M+NH4]+ 454.01966 204.2
[M+K]+ 474.94900 193.5
[M+H-H2O]+ 418.98310 185.8
[M+HCOO]- 480.98404 195.6
[M+CH3COO]- 494.99969 201.8
[M+Na-2H]- 456.96051 190.9
[M]+ 435.98529 200.5
[M]- 435.98639 200.5
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

No patent data available for this compound.