CID 5197555

N-(2-amino-2-oxoethyl)-4-bromobenzamide

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)N)Br
InChI
InChI=1S/C9H9BrN2O2/c10-7-3-1-6(2-4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKey
PBFAWYLUUYXNJN-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-4-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.98474 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.992016 147.1
[M+Na]+ 278.973958 156.3
[M-H]- 254.977464 152.6
[M+NH4]+ 274.018563 166.3
[M+K]+ 294.947898 145.1
[M+H-H2O]+ 238.982000 145.3
[M+HCOO]- 300.982941 168.9
[M+CH3COO]- 314.998591 194.8
[M+Na-2H]- 276.959406 152.3
[M]+ 255.98419142 163.2
[M]- 255.98528858 163.2
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.