CID 16778680

(3-amino-1-benzofuran-2-yl)(2,4-dichlorophenyl)methanone

Structural Information

Molecular Formula
C15H9Cl2NO2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=C(C=C(C=C3)Cl)Cl)N
InChI
InChI=1S/C15H9Cl2NO2/c16-8-5-6-9(11(17)7-8)14(19)15-13(18)10-3-1-2-4-12(10)20-15/h1-7H,18H2
InChIKey
JQUJYJFPXCWDPF-UHFFFAOYSA-N
Compound name
(3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.00104 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00832 167.0
[M+Na]+ 327.99026 179.5
[M-H]- 303.99376 175.3
[M+NH4]+ 323.03486 184.7
[M+K]+ 343.96420 173.3
[M+H-H2O]+ 287.99830 161.7
[M+HCOO]- 349.99924 182.2
[M+CH3COO]- 364.01489 180.2
[M+Na-2H]- 325.97571 170.4
[M]+ 305.00049 173.2
[M]- 305.00159 173.2
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.