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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.80258 158.3
[M+Na]+ 386.78452 164.6
[M-H]- 362.78802 154.0
[M+NH4]+ 381.82912 168.5
[M+K]+ 402.75846 163.1
[M+H-H2O]+ 346.79256 158.8
[M+HCOO]- 408.79350 142.9
[M+CH3COO]- 422.80915 162.9
[M+Na-2H]- 384.76997 155.3
[M]+ 363.79475 152.4
[M]- 363.79585 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.