CID 109039

61002-53-7

Structural Information

Molecular Formula
C13H8Cl2O2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)O)Cl
InChI
InChI=1S/C13H8Cl2O2/c14-10-2-1-3-11(15)12(10)13(17)8-4-6-9(16)7-5-8/h1-7,16H
InChIKey
MLWKCPQXHJATBQ-UHFFFAOYSA-N
Compound name
(2,6-dichlorophenyl)-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

265.99014 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.997416 151.4
[M+Na]+ 288.979358 162.0
[M-H]- 264.982864 156.9
[M+NH4]+ 284.023963 168.9
[M+K]+ 304.953298 155.5
[M+H-H2O]+ 248.987400 146.7
[M+HCOO]- 310.988341 164.7
[M+CH3COO]- 325.003991 192.3
[M+Na-2H]- 286.964806 155.2
[M]+ 265.98959142 154.6
[M]- 265.99068858 154.6
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