CID 2891943

4-f-n-(2,2,2-trichloro-1-(((4-fluoroanilino)carbothioyl)amino)ethyl)benzamide

Structural Information

Molecular Formula
C16H12Cl3F2N3OS
SMILES
C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)F)F
InChI
InChI=1S/C16H12Cl3F2N3OS/c17-16(18,19)14(23-13(25)9-1-3-10(20)4-2-9)24-15(26)22-12-7-5-11(21)6-8-12/h1-8,14H,(H,23,25)(H2,22,24,26)
InChIKey
AZQHUPCORXEVGY-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2,2,2-trichloro-1-[(4-fluorophenyl)carbamothioylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.97348 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.98076 186.2
[M+Na]+ 459.96270 195.1
[M+NH4]+ 455.00730 191.7
[M+K]+ 475.93664 187.5
[M-H]- 435.96620 186.9
[M+Na-2H]- 457.94815 191.8
[M]+ 436.97293 188.5
[M]- 436.97403 188.5
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.