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: 176
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	178.5
[M+Na]+	398.76102	184.1
[M-H]-	374.76452	171.3
[M+NH4]+	393.80562	189.0
[M+K]+	414.73496	181.7
[M+H-H2O]+	358.76906	175.9
[M+HCOO]-	420.77000	167.5
[M+CH3COO]-	434.78565	212.7
[M+Na-2H]-	396.74647	176.1
[M]+	375.77125	174.7
[M]-	375.77235	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe