CID 3478885

N-(2,4-dichlorophenyl)-n'-[2,2,2-trichloro-1-(formylamino)ethyl]thiourea

Structural Information

Molecular Formula
C10H8Cl5N3OS
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=S)NC(C(Cl)(Cl)Cl)NC=O
InChI
InChI=1S/C10H8Cl5N3OS/c11-5-1-2-7(6(12)3-5)17-9(20)18-8(16-4-19)10(13,14)15/h1-4,8H,(H,16,19)(H2,17,18,20)
InChIKey
XMFIVJIOTHURAJ-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

392.8831 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.89038 181.3
[M+Na]+ 415.87232 186.6
[M-H]- 391.87582 180.4
[M+NH4]+ 410.91692 192.7
[M+K]+ 431.84626 180.8
[M+H-H2O]+ 375.88036 179.4
[M+HCOO]- 437.88130 174.6
[M+CH3COO]- 451.89695 218.9
[M+Na-2H]- 413.85777 178.9
[M]+ 392.88255 180.6
[M]- 392.88365 180.6
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