CID 57327434

1-(3,4-dichlorophenyl)-2,2-dihydroxyethan-1-one

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
C1=CC(=C(C=C1C(=O)C(O)O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,8,12-13H
InChIKey
DCRUOXMDORXCDB-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2,2-dihydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.9694 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.976676 136.8
[M+Na]+ 242.958618 146.5
[M-H]- 218.962124 138.0
[M+NH4]+ 238.003223 155.4
[M+K]+ 258.932558 141.6
[M+H-H2O]+ 202.966660 134.2
[M+HCOO]- 264.967601 148.2
[M+CH3COO]- 278.983251 181.1
[M+Na-2H]- 240.944066 139.9
[M]+ 219.96885142 139.0
[M]- 219.96994858 139.0
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

No patent data available for this compound.