CID 21151251

Schembl10498598

Structural Information

Molecular Formula
C8H4Cl4O
SMILES
CC(=O)C1=CC(=C(C(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H4Cl4O/c1-3(13)4-2-5(9)7(11)8(12)6(4)10/h2H,1H3
InChIKey
KTQMWTSWKPBZDP-UHFFFAOYSA-N
Compound name
1-(2,3,4,5-tetrachlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.90163 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.908906 143.7
[M+Na]+ 278.890848 155.3
[M-H]- 254.894354 144.8
[M+NH4]+ 273.935453 162.0
[M+K]+ 294.864788 149.5
[M+H-H2O]+ 238.898890 142.0
[M+HCOO]- 300.899831 147.1
[M+CH3COO]- 314.915481 195.1
[M+Na-2H]- 276.876296 144.9
[M]+ 255.90108142 146.7
[M]- 255.90217858 146.7
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

patents stripe