CID 3023681

94134-54-0

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
CC1=CC(=C(C=C1Cl)C(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H10Cl2O2/c1-8-6-13(17)11(7-12(8)16)14(18)9-2-4-10(15)5-3-9/h2-7,17H,1H3
InChIKey
QLDYVILRXZAYKD-UHFFFAOYSA-N
Compound name
(5-chloro-2-hydroxy-4-methylphenyl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0058 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.013076 155.5
[M+Na]+ 302.995018 166.6
[M-H]- 278.998524 161.2
[M+NH4]+ 298.039623 172.7
[M+K]+ 318.968958 159.9
[M+H-H2O]+ 263.003060 150.8
[M+HCOO]- 325.004001 168.5
[M+CH3COO]- 339.019651 196.5
[M+Na-2H]- 300.980466 158.1
[M]+ 280.00525142 159.5
[M]- 280.00634858 159.5
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.