CID 121983

Rhenium-186 hedp

Structural Information

Molecular Formula

C₂H₈O₉P₂

SMILES

CC(O)(OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C2H8O9P2/c1-2(3,10-12(4,5)6)11-13(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)

InChIKey

LHTVOEBXFDDSQE-UHFFFAOYSA-N

Compound name

(1-hydroxy-1-phosphonooxyethyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 76
References: 8020
Patents: 237.96436 Da
Monoisotopic Mass: -3.6
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]+	238.97164	148.0
[M+Na]+	260.95358	153.9
[M-H]-	236.95708	139.7
[M+NH4]+	255.99818	139.4
[M+K]+	276.92752	155.0
[M+H-H2O]+	220.96162	140.3
[M+HCOO]-	282.96256	160.7
[M+CH3COO]-	296.97821	176.1
[M+Na-2H]-	258.93903	153.5
[M]+	237.96381	150.7
[M]-	237.96491	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe