CID 13358088

97483-08-4

Structural Information

Molecular Formula

C₉H₁₁Cl₂O₄P

SMILES

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

InChI

InChI=1S/C9H11Cl2O4P/c1-6-4-7(10)9(8(11)5-6)15-16(12,13-2)14-3/h4-5H,1-3H3

InChIKey

BOSJFUZJSJPPQY-UHFFFAOYSA-N

Compound name

(2,6-dichloro-4-methylphenyl) dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 7
Patents: 283.9772 Da
Monoisotopic Mass: 3.0
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]+	284.984476	151.9
[M+Na]+	306.966418	163.4
[M-H]-	282.969924	155.2
[M+NH4]+	302.011023	170.6
[M+K]+	322.940358	160.0
[M+H-H2O]+	266.974460	146.3
[M+HCOO]-	328.975401	171.6
[M+CH3COO]-	342.991051	197.8
[M+Na-2H]-	304.951866	154.8
[M]+	283.97665142	162.1
[M]-	283.97774858	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe