CID 214770

Brn 2335583

Structural Information

Molecular Formula
C17H17Cl3OS
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)C(Cl)(Cl)Cl
InChI
InChI=1S/C17H17Cl3OS/c1-3-21-14-8-4-12(5-9-14)16(17(18,19)20)13-6-10-15(22-2)11-7-13/h4-11,16H,3H2,1-2H3
InChIKey
MWSZWDFHIDWNEX-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2,2,2-trichloro-1-(4-methylsulfanylphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.00656 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.01384 188.5
[M+Na]+ 396.99578 204.0
[M+NH4]+ 392.04038 197.9
[M+K]+ 412.96972 192.2
[M-H]- 372.99928 192.7
[M+Na-2H]- 394.98123 196.3
[M]+ 374.00601 193.6
[M]- 374.00711 193.6
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.