CID 2887355

4-iodo-n-(2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ethyl)benzamide

Structural Information

Molecular Formula
C12H10Cl3IN2OS2
SMILES
C1CSC(=N1)SC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)I
InChI
InChI=1S/C12H10Cl3IN2OS2/c13-12(14,15)10(21-11-17-5-6-20-11)18-9(19)7-1-3-8(16)4-2-7/h1-4,10H,5-6H2,(H,18,19)
InChIKey
PKIQVSODHWESFA-UHFFFAOYSA-N
Compound name
4-iodo-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.8345 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.84178 196.0
[M+Na]+ 516.82372 199.5
[M+NH4]+ 511.86832 199.8
[M+K]+ 532.79766 193.4
[M-H]- 492.82722 192.4
[M+Na-2H]- 514.80917 188.9
[M]+ 493.83395 196.0
[M]- 493.83505 196.0
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.