CID 6328684

Butafosfan

Structural Information

Molecular Formula

C₇H₁₇NO₂P

SMILES

CCCCNC(C)(C)[P+](=O)O

InChI

InChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1

InChIKey

YHLWPOLSPCBOPC-UHFFFAOYSA-O

Compound name

2-(butylamino)propan-2-yl-hydroxy-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 147
Patents: 178.09969 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]+	179.10697	139.0
[M+Na]+	201.08891	148.4
[M+NH4]+	196.13351	146.2
[M+K]+	217.06285	145.5
[M-H]-	177.09241	138.5
[M+Na-2H]-	199.07436	141.6
[M]+	178.09914	140.1
[M]-	178.10024	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe