CID 15954831

Schembl6814688

Structural Information

Molecular Formula
C15H12Cl3N3OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C(=C2)Cl)Cl)Cl
InChI
InChI=1S/C15H12Cl3N3OS/c1-8(22)19-9-2-4-10(5-3-9)20-15(23)21-11-6-12(16)14(18)13(17)7-11/h2-7H,1H3,(H,19,22)(H2,20,21,23)
InChIKey
XBTJCLKNUXCNDM-UHFFFAOYSA-N
Compound name
N-[4-[(3,4,5-trichlorophenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

386.97665 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.98393 183.0
[M+Na]+ 409.96587 191.1
[M-H]- 385.96937 188.5
[M+NH4]+ 405.01047 196.2
[M+K]+ 425.93981 183.2
[M+H-H2O]+ 369.97391 178.5
[M+HCOO]- 431.97485 188.5
[M+CH3COO]- 445.99050 220.7
[M+Na-2H]- 407.95132 182.1
[M]+ 386.97610 186.6
[M]- 386.97720 186.6
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

patents stripe