CID 512106

33472-04-7

Structural Information

Molecular Formula

C₁₀H₁₃O₅P

SMILES

COP(=O)(C(=O)OCC1=CC=CC=C1)OC

InChI

InChI=1S/C10H13O5P/c1-13-16(12,14-2)10(11)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChIKey

XFKFJOZJWXBAPK-UHFFFAOYSA-N

Compound name

benzyl dimethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 244.05006 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]+	245.05734	152.2
[M+Na]+	267.03928	159.1
[M-H]-	243.04278	154.6
[M+NH4]+	262.08388	169.9
[M+K]+	283.01322	159.3
[M+H-H2O]+	227.04732	143.8
[M+HCOO]-	289.04826	180.5
[M+CH3COO]-	303.06391	190.2
[M+Na-2H]-	265.02473	155.9
[M]+	244.04951	158.5
[M]-	244.05061	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe