CID 16074140

2-[[3-(bromomethyl)oxiran-2-yl]methyl]isoindoline-1,3-dione

Structural Information

Molecular Formula
C12H10BrNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3C(O3)CBr
InChI
InChI=1S/C12H10BrNO3/c13-5-9-10(17-9)6-14-11(15)7-3-1-2-4-8(7)12(14)16/h1-4,9-10H,5-6H2
InChIKey
JVPKBBDXJFRSAE-UHFFFAOYSA-N
Compound name
2-[[3-(bromomethyl)oxiran-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.9844 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99168 161.2
[M+Na]+ 317.97362 176.4
[M-H]- 293.97712 171.7
[M+NH4]+ 313.01822 176.5
[M+K]+ 333.94756 165.0
[M+H-H2O]+ 277.98166 160.7
[M+HCOO]- 339.98260 180.2
[M+CH3COO]- 353.99825 200.4
[M+Na-2H]- 315.95907 166.2
[M]+ 294.98385 184.2
[M]- 294.98495 184.2
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

No patent data available for this compound.