CID 512123

72304-87-1

Structural Information

Molecular Formula

C₁₂H₁₇O₅P

SMILES

CCOP(=O)(C(=O)OC)OC1=C(C=CC=C1C)C

InChI

InChI=1S/C12H17O5P/c1-5-16-18(14,12(13)15-4)17-11-9(2)7-6-8-10(11)3/h6-8H,5H2,1-4H3

InChIKey

XFULWVNGDGCFGD-UHFFFAOYSA-N

Compound name

methyl [(2,6-dimethylphenoxy)-ethoxyphosphoryl]formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 272.08136 Da
Monoisotopic Mass: 2.6
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]+	273.08864	159.7
[M+Na]+	295.07058	167.5
[M-H]-	271.07408	162.6
[M+NH4]+	290.11518	177.0
[M+K]+	311.04452	167.5
[M+H-H2O]+	255.07862	151.5
[M+HCOO]-	317.07956	187.3
[M+CH3COO]-	331.09521	198.7
[M+Na-2H]-	293.05603	161.3
[M]+	272.08081	167.6
[M]-	272.08191	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe