CID 6857927

Fosetyl

Structural Information

Molecular Formula

SMILES

CCOP(=O)=O

InChI

InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3

InChIKey

ZUNGGJHBMLMRFJ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 35
References: 44305
Patents: 107.99763 Da
Monoisotopic Mass: -0.5
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]+	109.004906	116.6
[M+Na]+	130.986848	125.4
[M-H]-	106.990354	116.4
[M+NH4]+	126.031453	140.1
[M+K]+	146.960788	126.6
[M+H-H2O]+	90.994890	110.4
[M+HCOO]-	152.995831	147.0
[M+CH3COO]-	167.011481	166.9
[M+Na-2H]-	128.972296	120.9
[M]+	107.99708142	120.5
[M]-	107.99817858	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe