CID 12488068

7711-24-2

Structural Information

Molecular Formula
C8H3Cl5O
SMILES
C1=CC(=C(C(=C1Cl)C(=O)C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H3Cl5O/c9-3-1-2-4(10)6(11)5(3)7(14)8(12)13/h1-2,8H
InChIKey
LYFRUKSPAJQAGR-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-(2,3,6-trichlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

289.86264 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.86992 151.2
[M+Na]+ 312.85186 160.6
[M-H]- 288.85536 150.0
[M+NH4]+ 307.89646 166.8
[M+K]+ 328.82580 155.3
[M+H-H2O]+ 272.85990 149.6
[M+HCOO]- 334.86084 148.2
[M+CH3COO]- 348.87649 201.1
[M+Na-2H]- 310.83731 150.3
[M]+ 289.86209 151.6
[M]- 289.86319 151.6
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