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 178.8
[M+Na]+ 396.99578 187.1
[M-H]- 372.99928 184.0
[M+NH4]+ 392.04038 193.3
[M+K]+ 412.96972 179.9
[M+H-H2O]+ 357.00382 173.9
[M+HCOO]- 419.00476 180.0
[M+CH3COO]- 433.02041 212.1
[M+Na-2H]- 394.98123 178.6
[M]+ 374.00601 185.6
[M]- 374.00711 185.6
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.