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

literature stripe

Patent stripe

patents stripe