CID 2120325

2-chloro-n-(2-cyano-1-benzofuran-3-yl)acetamide

Structural Information

Molecular Formula
C11H7ClN2O2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C#N)NC(=O)CCl
InChI
InChI=1S/C11H7ClN2O2/c12-5-10(15)14-11-7-3-1-2-4-8(7)16-9(11)6-13/h1-4H,5H2,(H,14,15)
InChIKey
WABHXSZCVUSUFX-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyano-1-benzofuran-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0196 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02688 153.5
[M+Na]+ 257.00882 166.5
[M-H]- 233.01232 158.2
[M+NH4]+ 252.05342 171.6
[M+K]+ 272.98276 160.9
[M+H-H2O]+ 217.01686 141.6
[M+HCOO]- 279.01780 171.0
[M+CH3COO]- 293.03345 201.3
[M+Na-2H]- 254.99427 159.2
[M]+ 234.01905 153.4
[M]- 234.02015 153.4
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.