CID 135804022

Schembl11879093

Structural Information

Molecular Formula

C₇H₇ClN₄O₂

SMILES

C1=CC(=CC=C1N/C(=N/[N+](=O)[O-])/N)Cl

InChI

InChI=1S/C7H7ClN4O2/c8-5-1-3-6(4-2-5)10-7(9)11-12(13)14/h1-4H,(H3,9,10,11)

InChIKey

FKORGJFCAMBSIT-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-nitroguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.02576 Da
Monoisotopic Mass: 2.1
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]+	215.03304	141.2
[M+Na]+	237.01498	147.5
[M-H]-	213.01848	145.6
[M+NH4]+	232.05958	159.1
[M+K]+	252.98892	140.8
[M+H-H2O]+	197.02302	140.0
[M+HCOO]-	259.02396	166.0
[M+CH3COO]-	273.03961	186.4
[M+Na-2H]-	235.00043	149.0
[M]+	214.02521	138.8
[M]-	214.02631	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe