CID 4607645

2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ethylformamide

Structural Information

Molecular Formula
C6H7Cl3N2OS2
SMILES
C1CSC(=N1)SC(C(Cl)(Cl)Cl)NC=O
InChI
InChI=1S/C6H7Cl3N2OS2/c7-6(8,9)4(11-3-12)14-5-10-1-2-13-5/h3-4H,1-2H2,(H,11,12)
InChIKey
SDCGDWVSJCFETI-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.90652 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.91380 158.6
[M+Na]+ 314.89574 166.2
[M-H]- 290.89924 159.9
[M+NH4]+ 309.94034 176.1
[M+K]+ 330.86968 160.7
[M+H-H2O]+ 274.90378 155.3
[M+HCOO]- 336.90472 155.4
[M+CH3COO]- 350.92037 193.4
[M+Na-2H]- 312.88119 157.3
[M]+ 291.90597 160.8
[M]- 291.90707 160.8
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.