CID 193327

2-chloro-1-(2,4,5-trichlorophenyl)ethanone

Structural Information

Molecular Formula
C8H4Cl4O
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)CCl
InChI
InChI=1S/C8H4Cl4O/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2H,3H2
InChIKey
ZCUJOTLYIPZNRZ-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,4,5-trichlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 256.90891 144.4
[M+Na]+ 278.89085 155.2
[M-H]- 254.89435 145.3
[M+NH4]+ 273.93545 162.5
[M+K]+ 294.86479 149.3
[M+H-H2O]+ 238.89889 142.4
[M+HCOO]- 300.89983 147.9
[M+CH3COO]- 314.91548 194.0
[M+Na-2H]- 276.87630 146.2
[M]+ 255.90108 147.1
[M]- 255.90218 147.1
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

patents stripe