CID 10923100

4-(bromomethyl)-5-phenyl-1,3-dioxol-2-one

Structural Information

Molecular Formula
C10H7BrO3
SMILES
C1=CC=C(C=C1)C2=C(OC(=O)O2)CBr
InChI
InChI=1S/C10H7BrO3/c11-6-8-9(14-10(12)13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
PVDNUJWCLUDTSE-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-5-phenyl-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

253.95786 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.965136 145.7
[M+Na]+ 276.947078 159.0
[M-H]- 252.950584 156.9
[M+NH4]+ 271.991683 165.8
[M+K]+ 292.921018 150.9
[M+H-H2O]+ 236.955120 146.3
[M+HCOO]- 298.956061 168.6
[M+CH3COO]- 312.971711 187.9
[M+Na-2H]- 274.932526 154.3
[M]+ 253.95731142 168.2
[M]- 253.95840858 168.2
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

patents stripe