CID 2736615

2-hydroxy-2',3,5-trichlorobenzophenone

Structural Information

Molecular Formula
C13H7Cl3O2
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C(=CC(=C2)Cl)Cl)O)Cl
InChI
InChI=1S/C13H7Cl3O2/c14-7-5-9(13(18)11(16)6-7)12(17)8-3-1-2-4-10(8)15/h1-6,18H
InChIKey
NULXTAYCMKNTDL-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

299.95117 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.95845 160.5
[M+Na]+ 322.94039 177.6
[M+NH4]+ 317.98499 169.5
[M+K]+ 338.91433 168.7
[M-H]- 298.94389 164.2
[M+Na-2H]- 320.92584 169.1
[M]+ 299.95062 165.1
[M]- 299.95172 165.1
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