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

53
Patents

253.95786 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96514 145.7
[M+Na]+ 276.94708 159.0
[M-H]- 252.95058 156.9
[M+NH4]+ 271.99168 165.8
[M+K]+ 292.92102 150.9
[M+H-H2O]+ 236.95512 146.3
[M+HCOO]- 298.95606 168.6
[M+CH3COO]- 312.97171 187.9
[M+Na-2H]- 274.93253 154.3
[M]+ 253.95731 168.2
[M]- 253.95841 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