CID 5271533

2-(4-bromophenyl)chroman-4-one

Structural Information

Molecular Formula
C15H11BrO2
SMILES
C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
InChIKey
HFCRUUCITZMIKC-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

301.99423 Da
Monoisotopic Mass

3.9
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