CID 2385969

554404-36-3

Structural Information

Molecular Formula
C15H9ClN2O4
SMILES
C1=COC(=C1)C2=C(OC(=C2C#N)NC(=O)CCl)C3=CC=CO3
InChI
InChI=1S/C15H9ClN2O4/c16-7-12(19)18-15-9(8-17)13(10-3-1-5-20-10)14(22-15)11-4-2-6-21-11/h1-6H,7H2,(H,18,19)
InChIKey
VZSZEDDJEQERHY-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0251 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.03238 175.6
[M+Na]+ 339.01432 188.3
[M-H]- 315.01782 185.4
[M+NH4]+ 334.05892 189.6
[M+K]+ 354.98826 184.4
[M+H-H2O]+ 299.02236 163.2
[M+HCOO]- 361.02330 193.7
[M+CH3COO]- 375.03895 187.3
[M+Na-2H]- 336.99977 176.5
[M]+ 316.02455 178.5
[M]- 316.02565 178.5
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.