CID 512116

72305-97-6

Structural Information

Molecular Formula

C₁₀H₁₃O₅P

SMILES

CC1=CC=C(C=C1)OC(=O)P(=O)(OC)OC

InChI

InChI=1S/C10H13O5P/c1-8-4-6-9(7-5-8)15-10(11)16(12,13-2)14-3/h4-7H,1-3H3

InChIKey

YHCKQPDMBOBZBH-UHFFFAOYSA-N

Compound name

(4-methylphenyl) dimethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 244.05006 Da
Monoisotopic Mass: 1.6
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]+	245.05734	151.1
[M+Na]+	267.03928	158.9
[M-H]-	243.04278	154.0
[M+NH4]+	262.08388	169.2
[M+K]+	283.01322	159.2
[M+H-H2O]+	227.04732	143.0
[M+HCOO]-	289.04826	179.4
[M+CH3COO]-	303.06391	191.4
[M+Na-2H]-	265.02473	154.3
[M]+	244.04951	157.9
[M]-	244.05061	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe