CID 3059677

Brn 5609681

Structural Information

Molecular Formula
C17H14Cl2O4
SMILES
CC1=C(C=CC=C1OC(C)C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H14Cl2O4/c1-9-12(4-3-5-15(9)23-10(2)17(21)22)16(20)11-6-7-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,21,22)
InChIKey
NVPGCWWIAYVPRI-UHFFFAOYSA-N
Compound name
2-[3-(3,4-dichlorobenzoyl)-2-methylphenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.02692 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03420 171.3
[M+Na]+ 375.01614 180.5
[M-H]- 351.01964 176.8
[M+NH4]+ 370.06074 185.3
[M+K]+ 390.99008 175.1
[M+H-H2O]+ 335.02418 166.2
[M+HCOO]- 397.02512 182.1
[M+CH3COO]- 411.04077 210.4
[M+Na-2H]- 373.00159 170.4
[M]+ 352.02637 177.6
[M]- 352.02747 177.6
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

No patent data available for this compound.