CID 87223

17672-53-6

Structural Information

Molecular Formula

C₄H₄Cl₇O₃P

SMILES

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

InChI

InChI=1S/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2

InChIKey

ZHHCWQGVXYGWCW-UHFFFAOYSA-N

Compound name

1,1,1-trichloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
Patents: 375.7718 Da
Monoisotopic Mass: 4.0
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]+	376.77908	187.3
[M+Na]+	398.76102	194.9
[M+NH4]+	393.80562	191.1
[M+K]+	414.73496	189.3
[M-H]-	374.76452	182.4
[M+Na-2H]-	396.74647	187.1
[M]+	375.77125	188.1
[M]-	375.77235	188.1

Literature stripe

literature stripe

Patent stripe

patents stripe