CID 129577

Ks 504a

Structural Information

Molecular Formula

C₇H₃Cl₇O₂

SMILES

C1(C(C(=C(Cl)Cl)C2(C1(Cl)Cl)C(O2)Cl)(Cl)Cl)O

InChI

InChI=1S/C7H3Cl7O2/c8-2(9)1-5(4(10)16-5)7(13,14)3(15)6(1,11)12/h3-4,15H

InChIKey

PHUXLMFYGOIQKL-UHFFFAOYSA-N

Compound name

2,4,4,6,6-pentachloro-7-(dichloromethylidene)-1-oxaspiro[2.4]heptan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 363.7953 Da
Monoisotopic Mass: 3.1
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]+	364.80258	170.6
[M+Na]+	386.78452	180.6
[M+NH4]+	381.82912	178.6
[M+K]+	402.75846	173.7
[M-H]-	362.78802	173.9
[M+Na-2H]-	384.76997	175.8
[M]+	363.79475	175.0
[M]-	363.79585	175.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.