CID 3509432

303092-62-8

Structural Information

Molecular Formula
C10H8Cl3N3O2S
SMILES
C1=COC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=NC=CS2
InChI
InChI=1S/C10H8Cl3N3O2S/c11-10(12,13)8(16-9-14-3-5-19-9)15-7(17)6-2-1-4-18-6/h1-5,8H,(H,14,16)(H,15,17)
InChIKey
WOSDTBUTDFSIME-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.94028 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.94756 175.2
[M+Na]+ 361.92950 183.6
[M-H]- 337.93300 180.9
[M+NH4]+ 356.97410 190.7
[M+K]+ 377.90344 179.5
[M+H-H2O]+ 321.93754 170.0
[M+HCOO]- 383.93848 180.3
[M+CH3COO]- 397.95413 203.2
[M+Na-2H]- 359.91495 176.0
[M]+ 338.93973 180.8
[M]- 338.94083 180.8
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.