CID 87834

18868-46-7

Structural Information

Molecular Formula

C₂H₂Cl₅O₂P

SMILES

C(C(Cl)(Cl)Cl)OP(=O)(Cl)Cl

InChI

InChI=1S/C2H2Cl5O2P/c3-2(4,5)1-9-10(6,7)8/h1H2

InChIKey

ZBXWVOZHVCJRIR-UHFFFAOYSA-N

Compound name

1,1,1-trichloro-2-dichlorophosphoryloxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 263.82352 Da
Monoisotopic Mass: 2.8
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]+	264.83080	146.1
[M+Na]+	286.81274	155.4
[M-H]-	262.81624	142.4
[M+NH4]+	281.85734	163.3
[M+K]+	302.78668	151.1
[M+H-H2O]+	246.82078	144.1
[M+HCOO]-	308.82172	147.3
[M+CH3COO]-	322.83737	193.1
[M+Na-2H]-	284.79819	148.3
[M]+	263.82297	147.5
[M]-	263.82407	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe