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 175.6
[M+Na]+ 386.97976 191.3
[M+NH4]+ 382.02436 183.0
[M+K]+ 402.95370 186.2
[M-H]- 362.98326 179.6
[M+Na-2H]- 384.96521 181.7
[M]+ 363.98999 179.6
[M]- 363.99109 179.6
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.