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
2
Annotation Hits

0
References

29
Patents

225.03857 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04585 153.1
[M+Na]+ 248.02779 159.6
[M+NH4]+ 243.07239 161.9
[M+K]+ 264.00173 169.2
[M-H]- 224.03129 148.6
[M+Na-2H]- 246.01324 151.8
[M]+ 225.03802 154.9
[M]- 225.03912 154.9
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