CID 46919141

6-chloro-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C15H9ClO2
SMILES
C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C15H9ClO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKey
SBBCYRBHXPXNBP-UHFFFAOYSA-N
Compound name
6-chloro-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

256.0291 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 152.3
[M+Na]+ 279.01832 163.9
[M-H]- 255.02182 161.3
[M+NH4]+ 274.06292 170.1
[M+K]+ 294.99226 159.1
[M+H-H2O]+ 239.02636 145.6
[M+HCOO]- 301.02730 171.2
[M+CH3COO]- 315.04295 166.4
[M+Na-2H]- 277.00377 161.0
[M]+ 256.02855 156.7
[M]- 256.02965 156.7
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