CID 46629

Anp 4357

Structural Information

Molecular Formula
C13H7Cl3O5
SMILES
C1=CC(=C(C(=C1C(=O)C2=CC=C(O2)Cl)Cl)Cl)OCC(=O)O
InChI
InChI=1S/C13H7Cl3O5/c14-9-4-3-8(21-9)13(19)6-1-2-7(12(16)11(6)15)20-5-10(17)18/h1-4H,5H2,(H,17,18)
InChIKey
DEFHRKSFURUDIU-UHFFFAOYSA-N
Compound name
2-[2,3-dichloro-4-(5-chlorofuran-2-carbonyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9359 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.94318 167.7
[M+Na]+ 370.92512 178.4
[M-H]- 346.92862 173.2
[M+NH4]+ 365.96972 182.3
[M+K]+ 386.89906 173.9
[M+H-H2O]+ 330.93316 164.0
[M+HCOO]- 392.93410 175.1
[M+CH3COO]- 406.94975 204.8
[M+Na-2H]- 368.91057 167.3
[M]+ 347.93535 175.6
[M]- 347.93645 175.6
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.