CID 14554

1203-86-7

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe