CID 3085434

Tolfamide

Structural Information

Molecular Formula

C₈H₁₂N₃O₂P

SMILES

CC1=CC=CC=C1C(=O)NP(=O)(N)N

InChI

InChI=1S/C8H12N3O2P/c1-6-4-2-3-5-7(6)8(12)11-14(9,10)13/h2-5H,1H3,(H5,9,10,11,12,13)

InChIKey

NTZDIRFODDGCIF-UHFFFAOYSA-N

Compound name

N-diaminophosphoryl-2-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 164
Patents: 213.06671 Da
Monoisotopic Mass: -1.2
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]+	214.073986	146.5
[M+Na]+	236.055928	152.6
[M-H]-	212.059434	148.3
[M+NH4]+	231.100533	164.1
[M+K]+	252.029868	150.9
[M+H-H2O]+	196.063970	137.9
[M+HCOO]-	258.064911	176.3
[M+CH3COO]-	272.080561	193.1
[M+Na-2H]-	234.041376	148.8
[M]+	213.06616142	143.5
[M]-	213.06725858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe