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

110
Patents

253.95786 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96514 142.9
[M+Na]+ 276.94708 156.3
[M-H]- 252.95058 150.2
[M+NH4]+ 271.99168 163.2
[M+K]+ 292.92102 146.2
[M+H-H2O]+ 236.95512 143.3
[M+HCOO]- 298.95606 162.8
[M+CH3COO]- 312.97171 188.2
[M+Na-2H]- 274.93253 152.7
[M]+ 253.95731 163.9
[M]- 253.95841 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.