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 155.2
[M+Na]+ 228.03796 162.3
[M-H]- 204.04146 156.6
[M+NH4]+ 223.08256 169.3
[M+K]+ 244.01190 151.4
[M+H-H2O]+ 188.04600 150.8
[M+HCOO]- 250.04694 175.2
[M+CH3COO]- 264.06259 185.5
[M+Na-2H]- 226.02341 161.3
[M]+ 205.04819 144.9
[M]- 205.04929 144.9
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.