CID 6538043

20526-97-0

Structural Information

Molecular Formula
C15H9ClO2
SMILES
C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)Cl)/OC2=O
InChI
InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
InChIKey
OHRFHJYUEWVXBD-ZROIWOOFSA-N
Compound name
(3Z)-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

256.0291 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 153.2
[M+Na]+ 279.01832 169.7
[M+NH4]+ 274.06292 163.3
[M+K]+ 294.99226 162.5
[M-H]- 255.02182 159.5
[M+Na-2H]- 277.00377 161.2
[M]+ 256.02855 157.8
[M]- 256.02965 157.8
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