CID 1415429

2,2,2-trichloro-n-(1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C5H3Cl3N2OS
SMILES
C1=CSC(=N1)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C5H3Cl3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11)
InChIKey
KWVAHFLPHCQYDT-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

243.90317 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.91045 147.8
[M+Na]+ 266.89239 157.1
[M-H]- 242.89589 149.4
[M+NH4]+ 261.93699 166.9
[M+K]+ 282.86633 152.2
[M+H-H2O]+ 226.90043 144.0
[M+HCOO]- 288.90137 151.4
[M+CH3COO]- 302.91702 185.8
[M+Na-2H]- 264.87784 149.6
[M]+ 243.90262 150.4
[M]- 243.90372 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe