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 157.9
[M+Na]+ 262.04343 164.2
[M+NH4]+ 257.08803 166.6
[M+K]+ 278.01737 173.6
[M-H]- 238.04693 153.3
[M+Na-2H]- 260.02888 156.3
[M]+ 239.05366 159.6
[M]- 239.05476 159.6
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.