CID 100286

60012-98-8

Structural Information

Molecular Formula
C17H14Cl2O4
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H14Cl2O4/c1-17(2,16(21)22)23-12-6-3-10(4-7-12)15(20)11-5-8-13(18)14(19)9-11/h3-9H,1-2H3,(H,21,22)
InChIKey
UUZPLLNAZFSRON-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dichlorobenzoyl)phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.02692 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03420 172.6
[M+Na]+ 375.01614 181.6
[M-H]- 351.01964 178.1
[M+NH4]+ 370.06074 186.5
[M+K]+ 390.99008 176.1
[M+H-H2O]+ 335.02418 167.5
[M+HCOO]- 397.02512 182.8
[M+CH3COO]- 411.04077 208.6
[M+Na-2H]- 373.00159 174.4
[M]+ 352.02637 178.6
[M]- 352.02747 178.6
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.