CID 53721

4-bromo-n-(2-oxooxolan-3-yl)benzamide

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
C1COC(=O)C1NC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H10BrNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)
InChIKey
FKBDDIATWGVLAF-UHFFFAOYSA-N
Compound name
4-bromo-N-(2-oxooxolan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.9844 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.991676 156.4
[M+Na]+ 305.973618 166.2
[M-H]- 281.977124 166.0
[M+NH4]+ 301.018223 175.7
[M+K]+ 321.947558 156.6
[M+H-H2O]+ 265.981660 155.6
[M+HCOO]- 327.982601 177.1
[M+CH3COO]- 341.998251 195.1
[M+Na-2H]- 303.959066 160.9
[M]+ 282.98385142 173.7
[M]- 282.98494858 173.7
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