CID 3048541

63916-00-7

Structural Information

Molecular Formula
C9H9N3O5
SMILES
CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O5/c1-6(11(14)15)9(13)10-7-2-4-8(5-3-7)12(16)17/h2-6H,1H3,(H,10,13)
InChIKey
HERFFELNNVYWQO-UHFFFAOYSA-N
Compound name
2-nitro-N-(4-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05421 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06149 148.5
[M+Na]+ 262.04343 152.7
[M-H]- 238.04693 151.9
[M+NH4]+ 257.08803 163.0
[M+K]+ 278.01737 144.0
[M+H-H2O]+ 222.05147 150.7
[M+HCOO]- 284.05241 173.7
[M+CH3COO]- 298.06806 182.5
[M+Na-2H]- 260.02888 155.8
[M]+ 239.05366 144.5
[M]- 239.05476 144.5
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.