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 181.9
[M+Na]+ 416.94497 195.3
[M-H]- 392.94847 186.7
[M+NH4]+ 411.98957 197.8
[M+K]+ 432.91891 189.1
[M+H-H2O]+ 376.95301 175.1
[M+HCOO]- 438.95395 188.4
[M+CH3COO]- 452.96960 193.3
[M+Na-2H]- 414.93042 181.5
[M]+ 393.95520 188.7
[M]- 393.95630 188.7
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