CID 5252369

3-bromo-2-phenyl-chroman-4-one

Structural Information

Molecular Formula
C15H11BrO2
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)Br
InChI
InChI=1S/C15H11BrO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9,13,15H
InChIKey
XNMVXNQPSLBIQY-UHFFFAOYSA-N
Compound name
3-bromo-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.99423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00151 160.7
[M+Na]+ 324.98345 171.8
[M-H]- 300.98695 171.2
[M+NH4]+ 320.02805 179.1
[M+K]+ 340.95739 161.4
[M+H-H2O]+ 284.99149 159.9
[M+HCOO]- 346.99243 178.9
[M+CH3COO]- 361.00808 174.9
[M+Na-2H]- 322.96890 168.3
[M]+ 301.99368 178.5
[M]- 301.99478 178.5
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