CID 71311070

3-bromo-7-fluorochromone

Structural Information

Molecular Formula
C9H4BrFO2
SMILES
C1=CC2=C(C=C1F)OC=C(C2=O)Br
InChI
InChI=1S/C9H4BrFO2/c10-7-4-13-8-3-5(11)1-2-6(8)9(7)12/h1-4H
InChIKey
ZIHXBLKZUOFSMR-UHFFFAOYSA-N
Compound name
3-bromo-7-fluorochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.93787 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94515 138.6
[M+Na]+ 264.92709 153.2
[M-H]- 240.93059 146.2
[M+NH4]+ 259.97169 160.1
[M+K]+ 280.90103 143.2
[M+H-H2O]+ 224.93513 138.5
[M+HCOO]- 286.93607 159.3
[M+CH3COO]- 300.95172 188.3
[M+Na-2H]- 262.91254 148.8
[M]+ 241.93732 158.7
[M]- 241.93842 158.7
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

No patent data available for this compound.