CID 137363375

2-(6,7-dichloro-1-benzofuran-3-yl)-n-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula
C14H7Cl2F3N2O2S
SMILES
C1=CC(=C(C2=C1C(=CO2)CC(=O)NC3=NC=C(S3)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C14H7Cl2F3N2O2S/c15-8-2-1-7-6(5-23-12(7)11(8)16)3-10(22)21-13-20-4-9(24-13)14(17,18)19/h1-2,4-5H,3H2,(H,20,21,22)
InChIKey
DXGRCHWLEHRSKS-UHFFFAOYSA-N
Compound name
2-(6,7-dichloro-1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

393.95575 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.96303 180.2
[M+Na]+ 416.94497 190.1
[M+NH4]+ 411.98957 185.7
[M+K]+ 432.91891 185.9
[M-H]- 392.94847 179.6
[M+Na-2H]- 414.93042 183.2
[M]+ 393.95520 182.1
[M]- 393.95630 182.1
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

patents stripe