CID 9578783

[(e)-[benzofuran-2-yl-(4-chlorophenyl)methylene]amino] acetate

Structural Information

Molecular Formula
C17H12ClNO3
SMILES
CC(=O)O/N=C(\C1=CC=C(C=C1)Cl)/C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C17H12ClNO3/c1-11(20)22-19-17(12-6-8-14(18)9-7-12)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3/b19-17+
InChIKey
FFQLJLJZPZPPJA-HTXNQAPBSA-N
Compound name
[(E)-[1-benzofuran-2-yl-(4-chlorophenyl)methylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.05057 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05785 171.0
[M+Na]+ 336.03979 180.8
[M-H]- 312.04329 181.2
[M+NH4]+ 331.08439 188.2
[M+K]+ 352.01373 177.2
[M+H-H2O]+ 296.04783 164.0
[M+HCOO]- 358.04877 192.3
[M+CH3COO]- 372.06442 206.6
[M+Na-2H]- 334.02524 175.9
[M]+ 313.05002 178.5
[M]- 313.05112 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

literature stripe

Patent stripe

No patent data available for this compound.