CID 9582953

1613-86-1

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1=CC(=CC=C1/C(=N/O)/N)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O3/c8-7(9-11)5-1-3-6(4-2-5)10(12)13/h1-4,11H,(H2,8,9)
InChIKey
SRNSBDNIAKCXGI-UHFFFAOYSA-N
Compound name
N'-hydroxy-4-nitrobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

181.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 132.2
[M+Na]+ 204.03796 138.4
[M-H]- 180.04146 135.7
[M+NH4]+ 199.08256 150.2
[M+K]+ 220.01190 133.1
[M+H-H2O]+ 164.04600 130.4
[M+HCOO]- 226.04694 159.4
[M+CH3COO]- 240.06259 177.6
[M+Na-2H]- 202.02341 140.1
[M]+ 181.04819 128.0
[M]- 181.04929 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe