CID 901761

3-(3,4-dichlorobenzylidene)-2-benzofuran-1(3h)-one

Structural Information

Molecular Formula
C15H8Cl2O2
SMILES
C1=CC=C2C(=C1)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/OC2=O
InChI
InChI=1S/C15H8Cl2O2/c16-12-6-5-9(7-13(12)17)8-14-10-3-1-2-4-11(10)15(18)19-14/h1-8H/b14-8-
InChIKey
HQTZOLYGVQALEU-ZSOIEALJSA-N
Compound name
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

289.99014 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99742 163.1
[M+Na]+ 312.97936 175.3
[M-H]- 288.98286 171.3
[M+NH4]+ 308.02396 182.0
[M+K]+ 328.95330 168.7
[M+H-H2O]+ 272.98740 158.1
[M+HCOO]- 334.98834 176.3
[M+CH3COO]- 349.00399 176.3
[M+Na-2H]- 310.96481 166.3
[M]+ 289.98959 167.6
[M]- 289.99069 167.6
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

patents stripe