CID 19087148

133118-80-6

Structural Information

Molecular Formula
C9H7BrO2
SMILES
C1C(=O)COC2=C1C=CC=C2Br
InChI
InChI=1S/C9H7BrO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3H,4-5H2
InChIKey
GIOQDMYJFVLYBB-UHFFFAOYSA-N
Compound name
8-bromo-4H-chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.96294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.970216 138.1
[M+Na]+ 248.952158 149.9
[M-H]- 224.955664 146.0
[M+NH4]+ 243.996763 159.8
[M+K]+ 264.926098 140.7
[M+H-H2O]+ 208.960200 138.8
[M+HCOO]- 270.961141 157.1
[M+CH3COO]- 284.976791 185.2
[M+Na-2H]- 246.937606 147.8
[M]+ 225.96239142 156.2
[M]- 225.96348858 156.2
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