CID 3918444

2-cl-n-(2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)et)acetamide

Structural Information

Molecular Formula
C11H9Cl6N3OS
SMILES
C1=CC(=C(C=C1Cl)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CCl)Cl
InChI
InChI=1S/C11H9Cl6N3OS/c12-4-8(21)19-9(11(15,16)17)20-10(22)18-7-3-5(13)1-2-6(7)14/h1-3,9H,4H2,(H,19,21)(H2,18,20,22)
InChIKey
QAVBYDWSUKDQSW-UHFFFAOYSA-N
Compound name
2-chloro-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.85974 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.86702 190.7
[M+Na]+ 463.84896 194.2
[M-H]- 439.85246 187.8
[M+NH4]+ 458.89356 199.5
[M+K]+ 479.82290 189.7
[M+H-H2O]+ 423.85700 189.3
[M+HCOO]- 485.85794 178.3
[M+CH3COO]- 499.87359 226.5
[M+Na-2H]- 461.83441 185.5
[M]+ 440.85919 187.6
[M]- 440.86029 187.6
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.