CID 3674065

8-chloro-2-phenylchroman-4-one

Structural Information

Molecular Formula
C15H11ClO2
SMILES
C1C(OC2=C(C1=O)C=CC=C2Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClO2/c16-12-8-4-7-11-13(17)9-14(18-15(11)12)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKey
XQROCKZRCAVBQI-UHFFFAOYSA-N
Compound name
8-chloro-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.04477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05205 154.3
[M+Na]+ 281.03399 163.9
[M-H]- 257.03749 162.6
[M+NH4]+ 276.07859 171.8
[M+K]+ 297.00793 159.4
[M+H-H2O]+ 241.04203 147.6
[M+HCOO]- 303.04297 170.4
[M+CH3COO]- 317.05862 167.3
[M+Na-2H]- 279.01944 161.1
[M]+ 258.04422 155.8
[M]- 258.04532 155.8
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

No patent data available for this compound.