CID 75284

2274-66-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

12
References

8
Patents

255.90163 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.90891 143.7
[M+Na]+ 278.89085 153.5
[M-H]- 254.89435 144.4
[M+NH4]+ 273.93545 161.5
[M+K]+ 294.86479 147.9
[M+H-H2O]+ 238.89889 141.7
[M+HCOO]- 300.89983 146.4
[M+CH3COO]- 314.91548 193.7
[M+Na-2H]- 276.87630 145.2
[M]+ 255.90108 145.7
[M]- 255.90218 145.7
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