CID 7062193

113337-38-5

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
C1=CC(=C(C=C1C(=O)CO)Cl)Cl
InChI
InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,11H,4H2
InChIKey
VEQBTDISCZJNID-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

203.97449 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.981766 134.6
[M+Na]+ 226.963708 145.1
[M-H]- 202.967214 137.0
[M+NH4]+ 222.008313 154.7
[M+K]+ 242.937648 139.9
[M+H-H2O]+ 186.971750 131.6
[M+HCOO]- 248.972691 148.1
[M+CH3COO]- 262.988341 180.6
[M+Na-2H]- 224.949156 139.3
[M]+ 203.97394142 137.7
[M]- 203.97503858 137.7
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