CID 284643

13294-94-5

Structural Information

Molecular Formula
C17H11ClO2
SMILES
C1=CC=C(C=C1)C2=CC(=CC3=CC=C(C=C3)Cl)C(=O)O2
InChI
InChI=1S/C17H11ClO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-11H
InChIKey
OOBPYNGHMHREFX-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methylidene]-5-phenylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

282.04477 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05205 163.6
[M+Na]+ 305.03399 173.6
[M-H]- 281.03749 174.4
[M+NH4]+ 300.07859 180.8
[M+K]+ 321.00793 167.9
[M+H-H2O]+ 265.04203 156.8
[M+HCOO]- 327.04297 183.0
[M+CH3COO]- 341.05862 176.9
[M+Na-2H]- 303.01944 166.7
[M]+ 282.04422 165.9
[M]- 282.04532 165.9
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.