CID 22668375

2-bromo-n-methyl-n-(4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C9H9BrN2O3
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CBr
InChI
InChI=1S/C9H9BrN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3
InChIKey
MHYGOCXPOWBZGK-UHFFFAOYSA-N
Compound name
2-bromo-N-methyl-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

271.97964 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98692 150.9
[M+Na]+ 294.96886 160.2
[M-H]- 270.97236 158.3
[M+NH4]+ 290.01346 170.1
[M+K]+ 310.94280 146.9
[M+H-H2O]+ 254.97690 153.6
[M+HCOO]- 316.97784 174.6
[M+CH3COO]- 330.99349 193.0
[M+Na-2H]- 292.95431 158.1
[M]+ 271.97909 169.4
[M]- 271.98019 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe