CID 512125

72304-90-6

Structural Information

Molecular Formula

C₁₁H₁₃O₆P

SMILES

CC(=O)C1=CC=C(C=C1)OP(=O)(C(=O)OC)OC

InChI

InChI=1S/C11H13O6P/c1-8(12)9-4-6-10(7-5-9)17-18(14,16-3)11(13)15-2/h4-7H,1-3H3

InChIKey

RPXVINQTOFHSTL-UHFFFAOYSA-N

Compound name

methyl [(4-acetylphenoxy)-methoxyphosphoryl]formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 272.04498 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]+	273.05226	155.9
[M+Na]+	295.03420	163.1
[M-H]-	271.03770	158.7
[M+NH4]+	290.07880	172.6
[M+K]+	311.00814	163.8
[M+H-H2O]+	255.04224	147.6
[M+HCOO]-	317.04318	183.3
[M+CH3COO]-	331.05883	196.5
[M+Na-2H]-	293.01965	157.8
[M]+	272.04443	163.1
[M]-	272.04553	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe