CID 60910

Mifobate

Structural Information

Molecular Formula

C₁₁H₁₇ClO₇P₂

SMILES

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

InChI

InChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3

InChIKey

VQHUQHAPWMNBLP-UHFFFAOYSA-N

Compound name

[(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 25
References: 242
Patents: 358.0138 Da
Monoisotopic Mass: 1.0
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]+	359.02108	172.1
[M+Na]+	381.00302	179.7
[M-H]-	357.00652	174.2
[M+NH4]+	376.04762	187.0
[M+K]+	396.97696	179.7
[M+H-H2O]+	341.01106	162.5
[M+HCOO]-	403.01200	199.6
[M+CH3COO]-	417.02765	210.8
[M+Na-2H]-	378.98847	174.5
[M]+	358.01325	185.0
[M]-	358.01435	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe