CID 58316561

8-bromo-5-fluorochroman-4-one

Structural Information

Molecular Formula
C9H6BrFO2
SMILES
C1COC2=C(C=CC(=C2C1=O)F)Br
InChI
InChI=1S/C9H6BrFO2/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8/h1-2H,3-4H2
InChIKey
WCAVCPZMIKUNBV-UHFFFAOYSA-N
Compound name
8-bromo-5-fluoro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

243.95352 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.960796 142.1
[M+Na]+ 266.942738 154.8
[M-H]- 242.946244 149.0
[M+NH4]+ 261.987343 163.3
[M+K]+ 282.916678 145.0
[M+H-H2O]+ 226.950780 142.0
[M+HCOO]- 288.951721 160.0
[M+CH3COO]- 302.967371 188.9
[M+Na-2H]- 264.928186 150.4
[M]+ 243.95297142 159.5
[M]- 243.95406858 159.5
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