CID 69124

2',4'-dinitroacetanilide

Structural Information

Molecular Formula
C8H7N3O5
SMILES
CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O5/c1-5(12)9-7-3-2-6(10(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,9,12)
InChIKey
BRZYMGKDOVQJGX-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

40
Patents

225.03857 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.045846 143.9
[M+Na]+ 248.027788 149.6
[M-H]- 224.031294 147.8
[M+NH4]+ 243.072393 159.4
[M+K]+ 264.001728 140.7
[M+H-H2O]+ 208.035830 146.4
[M+HCOO]- 270.036771 170.4
[M+CH3COO]- 284.052421 180.0
[M+Na-2H]- 246.013236 152.3
[M]+ 225.03802142 140.6
[M]- 225.03911858 140.6
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