CID 3043654

Brn 1268174

Structural Information

Molecular Formula
C17H10Cl2O5
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl
InChI
InChI=1S/C17H10Cl2O5/c18-15-10(5-6-12(16(15)19)23-8-14(20)21)17(22)13-7-9-3-1-2-4-11(9)24-13/h1-7H,8H2,(H,20,21)
InChIKey
OSHXRJHIPPCSHW-UHFFFAOYSA-N
Compound name
2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.99054 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99782 176.1
[M+Na]+ 386.97976 187.6
[M-H]- 362.98326 183.9
[M+NH4]+ 382.02436 191.1
[M+K]+ 402.95370 182.8
[M+H-H2O]+ 346.98780 171.1
[M+HCOO]- 408.98874 188.8
[M+CH3COO]- 423.00439 209.2
[M+Na-2H]- 384.96521 178.2
[M]+ 363.98999 185.9
[M]- 363.99109 185.9
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.