CID 204146

Benzamidine, p-(p-nitrophenoxy)-, monohydrochloride

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC(=CC=C1C(=N)N)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O3/c14-13(15)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)16(17)18/h1-8H,(H3,14,15)
InChIKey
AJUJANYBXNSRCM-UHFFFAOYSA-N
Compound name
4-(4-nitrophenoxy)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.08005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 153.2
[M+Na]+ 280.069268 158.5
[M-H]- 256.072774 159.6
[M+NH4]+ 275.113873 167.8
[M+K]+ 296.043208 151.3
[M+H-H2O]+ 240.077310 149.7
[M+HCOO]- 302.078251 179.7
[M+CH3COO]- 316.093901 193.6
[M+Na-2H]- 278.054716 160.1
[M]+ 257.07950142 149.2
[M]- 257.08059858 149.2
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

patents stripe