CID 51060078

882865-27-2

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C(=CC=C3)OCCCl)N
InChI
InChI=1S/C17H14ClNO3/c18-9-10-21-13-8-4-7-12-14(19)17(22-16(12)13)15(20)11-5-2-1-3-6-11/h1-8H,9-10,19H2
InChIKey
FJPYFFATSUVWJT-UHFFFAOYSA-N
Compound name
[3-amino-7-(2-chloroethoxy)-1-benzofuran-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06622 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07350 169.9
[M+Na]+ 338.05544 185.2
[M+NH4]+ 333.10004 178.5
[M+K]+ 354.02938 179.1
[M-H]- 314.05894 176.1
[M+Na-2H]- 336.04089 177.5
[M]+ 315.06567 174.2
[M]- 315.06677 174.2
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.