CID 5465897

4-(bromomethyl)-7-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C10H7BrO3
SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2CBr
InChI
InChI=1S/C10H7BrO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
InChIKey
XFNVWGFZARBVBT-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

253.95786 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.965136 142.9
[M+Na]+ 276.947078 156.3
[M-H]- 252.950584 150.2
[M+NH4]+ 271.991683 163.2
[M+K]+ 292.921018 146.2
[M+H-H2O]+ 236.955120 143.3
[M+HCOO]- 298.956061 162.8
[M+CH3COO]- 312.971711 188.2
[M+Na-2H]- 274.932526 152.7
[M]+ 253.95731142 163.9
[M]- 253.95840858 163.9
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