CID 3375462

2-cl-n-(2,2,2-trichloro-1-(((2-chloroanilino)carbothioyl)amino)ethyl)acetamide

Structural Information

Molecular Formula
C11H10Cl5N3OS
SMILES
C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CCl)Cl
InChI
InChI=1S/C11H10Cl5N3OS/c12-5-8(20)18-9(11(14,15)16)19-10(21)17-7-4-2-1-3-6(7)13/h1-4,9H,5H2,(H,18,20)(H2,17,19,21)
InChIKey
ZTPIPSNXVDKTRT-UHFFFAOYSA-N
Compound name
2-chloro-N-[2,2,2-trichloro-1-[(2-chlorophenyl)carbamothioylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.8987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.905976 183.3
[M+Na]+ 429.887918 187.5
[M-H]- 405.891424 182.3
[M+NH4]+ 424.932523 194.1
[M+K]+ 445.861858 181.8
[M+H-H2O]+ 389.895960 181.3
[M+HCOO]- 451.896901 175.8
[M+CH3COO]- 465.912551 220.5
[M+Na-2H]- 427.873366 180.5
[M]+ 406.89815142 182.4
[M]- 406.89924858 182.4
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.