CID 3386071

41533-03-3

Structural Information

Molecular Formula
C11H5Cl3O2
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=O)O2)Cl)Cl)Cl
InChI
InChI=1S/C11H5Cl3O2/c12-7-8(13)10(16-11(15)9(7)14)6-4-2-1-3-5-6/h1-5H
InChIKey
UINGXNYKRUPFME-UHFFFAOYSA-N
Compound name
3,4,5-trichloro-6-phenylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.93552 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.94280 152.4
[M+Na]+ 296.92474 171.0
[M+NH4]+ 291.96934 162.0
[M+K]+ 312.89868 161.8
[M-H]- 272.92824 158.0
[M+Na-2H]- 294.91019 161.9
[M]+ 273.93497 157.8
[M]- 273.93607 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.