CID 3056273

73664-34-3

Structural Information

Molecular Formula
C11H12Cl3NOS
SMILES
C1=CC=C(C=C1)CSCCNC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C11H12Cl3NOS/c12-11(13,14)10(16)15-6-7-17-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)
InChIKey
SGUVXMJFYJNEOA-UHFFFAOYSA-N
Compound name
N-(2-benzylsulfanylethyl)-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.97052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.97780 171.2
[M+Na]+ 333.95974 183.1
[M+NH4]+ 329.00434 179.5
[M+K]+ 349.93368 173.1
[M-H]- 309.96324 172.6
[M+Na-2H]- 331.94519 176.4
[M]+ 310.96997 174.6
[M]- 310.97107 174.6
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.