CID 6477376

5-chloroaurone

Structural Information

Molecular Formula
C15H9ClO2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C15H9ClO2/c16-11-6-7-13-12(9-11)15(17)14(18-13)8-10-4-2-1-3-5-10/h1-9H/b14-8-
InChIKey
CPBANXAQQGJCHB-ZSOIEALJSA-N
Compound name
(2Z)-2-benzylidene-5-chloro-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.0291 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 155.2
[M+Na]+ 279.01832 166.2
[M-H]- 255.02182 163.9
[M+NH4]+ 274.06292 174.8
[M+K]+ 294.99226 160.7
[M+H-H2O]+ 239.02636 149.6
[M+HCOO]- 301.02730 173.7
[M+CH3COO]- 315.04295 169.0
[M+Na-2H]- 277.00377 160.1
[M]+ 256.02855 158.1
[M]- 256.02965 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.