CID 86071792

2-isocyano-n-(3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C9H7N3O3
SMILES
[C-]#[N+]CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O3/c1-10-6-9(13)11-7-3-2-4-8(5-7)12(14)15/h2-5H,6H2,(H,11,13)
InChIKey
HYFXVESFXHZDKR-UHFFFAOYSA-N
Compound name
2-isocyano-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05602 149.1
[M+Na]+ 228.03796 161.2
[M+NH4]+ 223.08256 153.2
[M+K]+ 244.01190 156.4
[M-H]- 204.04146 145.8
[M+Na-2H]- 226.02341 151.7
[M]+ 205.04819 148.8
[M]- 205.04929 148.8
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.