CID 1211947

N-[(2,4-dichlorophenyl)carbamothioyl]acetamide

Structural Information

Molecular Formula
C9H8Cl2N2OS
SMILES
CC(=O)NC(=S)NC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2OS/c1-5(14)12-9(15)13-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKey
WNKDYIHLNSAHRF-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

261.97345 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98073 152.4
[M+Na]+ 284.96267 160.9
[M-H]- 260.96617 156.1
[M+NH4]+ 280.00727 170.6
[M+K]+ 300.93661 154.9
[M+H-H2O]+ 244.97071 148.5
[M+HCOO]- 306.97165 162.5
[M+CH3COO]- 320.98730 195.5
[M+Na-2H]- 282.94812 153.3
[M]+ 261.97290 155.2
[M]- 261.97400 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.