CID 85894674

Dm-tmo

Structural Information

Molecular Formula

C₈H₉Cl₂O₄P

SMILES

CC1=CC(=C(C(=C1)Cl)OP(=O)(O)OC)Cl

InChI

InChI=1S/C8H9Cl2O4P/c1-5-3-6(9)8(7(10)4-5)14-15(11,12)13-2/h3-4H,1-2H3,(H,11,12)

InChIKey

RMBSXTYRNGGSJM-UHFFFAOYSA-N

Compound name

(2,6-dichloro-4-methylphenyl) methyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 269.96155 Da
Monoisotopic Mass: 2.4
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]+	270.968826	147.8
[M+Na]+	292.950768	159.3
[M-H]-	268.954274	150.0
[M+NH4]+	287.995373	166.4
[M+K]+	308.924708	155.3
[M+H-H2O]+	252.958810	142.8
[M+HCOO]-	314.959751	166.4
[M+CH3COO]-	328.975401	192.3
[M+Na-2H]-	290.936216	150.8
[M]+	269.96100142	155.8
[M]-	269.96209858	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.