CID 9588619

Brn 5552285

Structural Information

Molecular Formula
C9H7N3O4
SMILES
C1=CC(=C2C=C(OC2=C1)/C(=N\O)/N)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O4/c10-9(11-13)8-4-5-6(12(14)15)2-1-3-7(5)16-8/h1-4,13H,(H2,10,11)
InChIKey
ZWGGMQBPUBGNFN-UHFFFAOYSA-N
Compound name
N'-hydroxy-4-nitro-1-benzofuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.050936 140.5
[M+Na]+ 244.032878 148.3
[M-H]- 220.036384 146.2
[M+NH4]+ 239.077483 158.5
[M+K]+ 260.006818 143.3
[M+H-H2O]+ 204.040920 138.8
[M+HCOO]- 266.041861 168.1
[M+CH3COO]- 280.057511 184.5
[M+Na-2H]- 242.018326 150.1
[M]+ 221.04311142 140.3
[M]- 221.04420858 140.3
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.