CID 287181

6-bromochromen-2-one

Structural Information

Molecular Formula
C9H5BrO2
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1Br
InChI
InChI=1S/C9H5BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKey
XXRJDOQENVGLJT-UHFFFAOYSA-N
Compound name
6-bromochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

79
Patents

223.9473 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95458 132.4
[M+Na]+ 246.93652 138.7
[M+NH4]+ 241.98112 138.6
[M+K]+ 262.91046 138.1
[M-H]- 222.94002 135.3
[M+Na-2H]- 244.92197 137.6
[M]+ 223.94675 133.2
[M]- 223.94785 133.2
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