CID 169408032

N-acetoxy-n-bromo-4-nitrobenzamide

Structural Information

Molecular Formula
C9H7BrN2O5
SMILES
CC(=O)ON(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C9H7BrN2O5/c1-6(13)17-11(10)9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3
InChIKey
ZBORKZGQSDRDOZ-UHFFFAOYSA-N
Compound name
[bromo-(4-nitrobenzoyl)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.95383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96111 154.1
[M+Na]+ 324.94305 163.1
[M-H]- 300.94655 161.5
[M+NH4]+ 319.98765 171.9
[M+K]+ 340.91699 150.8
[M+H-H2O]+ 284.95109 156.4
[M+HCOO]- 346.95203 177.4
[M+CH3COO]- 360.96768 195.3
[M+Na-2H]- 322.92850 160.6
[M]+ 301.95328 173.7
[M]- 301.95438 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

No patent data available for this compound.