CID 3022663

93856-96-3

Structural Information

Molecular Formula
C14H9Cl2F3N2OS
SMILES
C1=CC(=CC(=C1)SC(F)(F)F)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2F3N2OS/c15-11-5-4-9(7-12(11)16)21-13(22)20-8-2-1-3-10(6-8)23-14(17,18)19/h1-7H,(H2,20,21,22)
InChIKey
HMYXMPYYJLJTFD-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.97647 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.983746 174.6
[M+Na]+ 402.965688 183.9
[M-H]- 378.969194 177.3
[M+NH4]+ 398.010293 188.1
[M+K]+ 418.939628 175.7
[M+H-H2O]+ 362.973730 166.5
[M+HCOO]- 424.974671 181.1
[M+CH3COO]- 438.990321 215.3
[M+Na-2H]- 400.951136 175.7
[M]+ 379.97592142 175.6
[M]- 379.97701858 175.6
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.