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]+ 222.05094 140.5
[M+Na]+ 244.03288 148.3
[M-H]- 220.03638 146.2
[M+NH4]+ 239.07748 158.5
[M+K]+ 260.00682 143.3
[M+H-H2O]+ 204.04092 138.8
[M+HCOO]- 266.04186 168.1
[M+CH3COO]- 280.05751 184.5
[M+Na-2H]- 242.01833 150.1
[M]+ 221.04311 140.3
[M]- 221.04421 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.