CID 6538043

105279-16-1

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
2
Annotation Hits

5
References

9
Patents

256.0291 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.036376 155.2
[M+Na]+ 279.018318 166.2
[M-H]- 255.021824 163.9
[M+NH4]+ 274.062923 174.8
[M+K]+ 294.992258 160.7
[M+H-H2O]+ 239.026360 149.6
[M+HCOO]- 301.027301 173.7
[M+CH3COO]- 315.042951 169.0
[M+Na-2H]- 277.003766 160.1
[M]+ 256.02855142 158.1
[M]- 256.02964858 158.1
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