CID 129720189

(3,5-dichloro-2-hydroxy-4-methoxyphenyl)-phenylmethanone

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
COC1=C(C=C(C(=C1Cl)O)C(=O)C2=CC=CC=C2)Cl
InChI
InChI=1S/C14H10Cl2O3/c1-19-14-10(15)7-9(13(18)11(14)16)12(17)8-5-3-2-4-6-8/h2-7,18H,1H3
InChIKey
OMYVZGRSPWHOOZ-UHFFFAOYSA-N
Compound name
(3,5-dichloro-2-hydroxy-4-methoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.0007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.007976 158.2
[M+Na]+ 318.989918 169.2
[M-H]- 294.993424 164.0
[M+NH4]+ 314.034523 174.7
[M+K]+ 334.963858 163.2
[M+H-H2O]+ 278.997960 153.3
[M+HCOO]- 340.998901 171.4
[M+CH3COO]- 355.014551 198.5
[M+Na-2H]- 316.975366 160.9
[M]+ 296.00015142 163.6
[M]- 296.00124858 163.6
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