CID 4192962

N-(2-hydroxy-3,5-dinitrophenyl)acetamide

Structural Information

Molecular Formula
C8H7N3O6
SMILES
CC(=O)NC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C8H7N3O6/c1-4(12)9-6-2-5(10(14)15)3-7(8(6)13)11(16)17/h2-3,13H,1H3,(H,9,12)
InChIKey
RMWYWQJCJOEMTR-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-3,5-dinitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.03348 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04076 152.9
[M+Na]+ 264.02270 159.4
[M+NH4]+ 259.06730 161.9
[M+K]+ 279.99664 169.1
[M-H]- 240.02620 148.7
[M+Na-2H]- 262.00815 152.0
[M]+ 241.03293 154.8
[M]- 241.03403 154.8
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.