CID 5270549

4h-1-benzopyran-4-one,2-(3-bromophenyl)-2,3-dihydro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

301.99423 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe