CID 2392283

2-chloro-n-[3-cyano-4,5-bis(thiophen-2-yl)furan-2-yl]acetamide

Structural Information

Molecular Formula
C15H9ClN2O2S2
SMILES
C1=CSC(=C1)C2=C(OC(=C2C#N)NC(=O)CCl)C3=CC=CS3
InChI
InChI=1S/C15H9ClN2O2S2/c16-7-12(19)18-15-9(8-17)13(10-3-1-5-21-10)14(20-15)11-4-2-6-22-11/h1-6H,7H2,(H,18,19)
InChIKey
JBBFTASYEYCWBZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9794 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.98668 196.7
[M+Na]+ 370.96862 211.7
[M-H]- 346.97212 207.9
[M+NH4]+ 366.01322 214.2
[M+K]+ 386.94256 205.2
[M+H-H2O]+ 330.97666 185.8
[M+HCOO]- 392.97760 207.6
[M+CH3COO]- 406.99325 207.7
[M+Na-2H]- 368.95407 192.3
[M]+ 347.97885 199.9
[M]- 347.97995 199.9
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.