CID 81222885

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

Structural Information

Molecular Formula
C10H6Br2O2
SMILES
C1=CC2=C(C=C1Br)OC(=O)C=C2CBr
InChI
InChI=1S/C10H6Br2O2/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4H,5H2
InChIKey
GYIQHWNVXGYRKN-UHFFFAOYSA-N
Compound name
7-bromo-4-(bromomethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.87344 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.88072 142.1
[M+Na]+ 338.86266 154.3
[M-H]- 314.86616 150.5
[M+NH4]+ 333.90726 160.8
[M+K]+ 354.83660 140.4
[M+H-H2O]+ 298.87070 150.5
[M+HCOO]- 360.87164 158.0
[M+CH3COO]- 374.88729 205.3
[M+Na-2H]- 336.84811 151.4
[M]+ 315.87289 178.3
[M]- 315.87399 178.3
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.