CID 5494409

Ns00114737

Structural Information

Molecular Formula

SMILES

CCOP(O)O

InChI

InChI=1S/C2H7O3P/c1-2-5-6(3)4/h3-4H,2H2,1H3

InChIKey

QDHCHVWSKUMZDZ-UHFFFAOYSA-N

Compound name

ethyl dihydrogen phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2765
Patents: 110.01328 Da
Monoisotopic Mass: -0.6
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]+	111.020556	122.7
[M+Na]+	133.002498	130.0
[M-H]-	109.006004	119.5
[M+NH4]+	128.047103	144.7
[M+K]+	148.976438	130.5
[M+H-H2O]+	93.010540	116.6
[M+HCOO]-	155.011481	149.5
[M+CH3COO]-	169.027131	163.5
[M+Na-2H]-	130.987946	125.6
[M]+	110.01273142	124.0
[M]-	110.01382858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe