CID 162345127

Ns00132823

Structural Information

Molecular Formula
C12H6Cl4O2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(OC(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4O2/c13-8-7(9(14)12(16)18-11(8)15)10(17)6-4-2-1-3-5-6/h1-5,11H
InChIKey
FMDBEUCMVANCMU-UHFFFAOYSA-N
Compound name
phenyl-(2,3,5,6-tetrachloro-2H-pyran-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.9122 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.919476 161.8
[M+Na]+ 344.901418 172.2
[M-H]- 320.904924 166.0
[M+NH4]+ 339.946023 176.1
[M+K]+ 360.875358 167.1
[M+H-H2O]+ 304.909460 157.9
[M+HCOO]- 366.910401 163.3
[M+CH3COO]- 380.926051 204.1
[M+Na-2H]- 342.886866 163.0
[M]+ 321.91165142 165.3
[M]- 321.91274858 165.3
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.