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 184.8
[M+Na]+ 516.82372 185.4
[M-H]- 492.82722 182.4
[M+NH4]+ 511.86832 194.4
[M+K]+ 532.79766 184.5
[M+H-H2O]+ 476.83176 177.1
[M+HCOO]- 538.83270 177.3
[M+CH3COO]- 552.84835 216.1
[M+Na-2H]- 514.80917 171.9
[M]+ 493.83395 185.1
[M]- 493.83505 185.1
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.