CID 81525

7076-53-1

Structural Information

Molecular Formula

C₇H₁₃Cl₂O₅PS

SMILES

CCS(=O)CCOP(=O)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C7H13Cl2O5PS/c1-3-16(11)5-4-13-15(10,12-2)14-6-7(8)9/h6H,3-5H2,1-2H3

InChIKey

AACILMLPSLEQMF-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl 2-ethylsulfinylethyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2958
Patents: 309.95984 Da
Monoisotopic Mass: 0.8
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]+	310.96712	154.2
[M+Na]+	332.94906	161.9
[M-H]-	308.95256	154.0
[M+NH4]+	327.99366	171.6
[M+K]+	348.92300	158.6
[M+H-H2O]+	292.95710	149.4
[M+HCOO]-	354.95804	167.1
[M+CH3COO]-	368.97369	197.7
[M+Na-2H]-	330.93451	153.4
[M]+	309.95929	165.3
[M]-	309.96039	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe