CID 165122

Benzamidine, m-nitro-, hydrochloride

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

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

InChI

InChI=1S/C7H7N3O2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4H,(H3,8,9)

InChIKey

BAAYGBNLZPDGJS-UHFFFAOYSA-N

Compound name

3-nitrobenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 139
Patents: 165.05383 Da
Monoisotopic Mass: 0.7
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]+	166.06111	129.1
[M+Na]+	188.04305	135.4
[M-H]-	164.04655	132.6
[M+NH4]+	183.08765	147.8
[M+K]+	204.01699	129.6
[M+H-H2O]+	148.05109	127.6
[M+HCOO]-	210.05203	156.1
[M+CH3COO]-	224.06768	176.1
[M+Na-2H]-	186.02850	136.9
[M]+	165.05328	123.7
[M]-	165.05438	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe