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]+ 407.90598 183.3
[M+Na]+ 429.88792 187.5
[M-H]- 405.89142 182.3
[M+NH4]+ 424.93252 194.1
[M+K]+ 445.86186 181.8
[M+H-H2O]+ 389.89596 181.3
[M+HCOO]- 451.89690 175.8
[M+CH3COO]- 465.91255 220.5
[M+Na-2H]- 427.87337 180.5
[M]+ 406.89815 182.4
[M]- 406.89925 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.