CID 15667866

3-nitrophenylguanidine

Structural Information

Molecular Formula

C₇H₈N₄O₂

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N=C(N)N

InChI

InChI=1S/C7H8N4O2/c8-7(9)10-5-2-1-3-6(4-5)11(12)13/h1-4H,(H4,8,9,10)

InChIKey

JJBYIQPAELFTOD-UHFFFAOYSA-N

Compound name

2-(3-nitrophenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 133
Patents: 180.06473 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.07201	134.2
[M+Na]+	203.05395	144.3
[M+NH4]+	198.09855	141.6
[M+K]+	219.02789	142.5
[M-H]-	179.05745	138.5
[M+Na-2H]-	201.03940	140.2
[M]+	180.06418	136.3
[M]-	180.06528	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe