CID 13850167

22526-30-3

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
CC(=O)C1=CC(=C(C=C1O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O2/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-3,12H,1H3
InChIKey
LZDZGKFMOJUAKB-UHFFFAOYSA-N
Compound name
1-(4,5-dichloro-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

203.97449 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.981766 133.8
[M+Na]+ 226.963708 145.1
[M-H]- 202.967214 136.5
[M+NH4]+ 222.008313 154.2
[M+K]+ 242.937648 140.1
[M+H-H2O]+ 186.971750 131.1
[M+HCOO]- 248.972691 147.3
[M+CH3COO]- 262.988341 181.8
[M+Na-2H]- 224.949156 137.8
[M]+ 203.97394142 137.3
[M]- 203.97503858 137.3
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