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]+ 235.026876 153.5
[M+Na]+ 257.008818 166.5
[M-H]- 233.012324 158.2
[M+NH4]+ 252.053423 171.6
[M+K]+ 272.982758 160.9
[M+H-H2O]+ 217.016860 141.6
[M+HCOO]- 279.017801 171.0
[M+CH3COO]- 293.033451 201.3
[M+Na-2H]- 254.994266 159.2
[M]+ 234.01905142 153.4
[M]- 234.02014858 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.