CID 3043652

Brn 1263729

Structural Information

Molecular Formula
C13H7BrCl2O5
SMILES
C1=CC(=C(C(=C1C(=O)C2=CC=C(O2)Br)Cl)Cl)OCC(=O)O
InChI
InChI=1S/C13H7BrCl2O5/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
MVEHNFVMVBIQGK-UHFFFAOYSA-N
Compound name
2-[4-(5-bromofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.88538 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.89266 174.5
[M+Na]+ 414.87460 178.6
[M+NH4]+ 409.91920 177.5
[M+K]+ 430.84854 180.4
[M-H]- 390.87810 175.3
[M+Na-2H]- 412.86005 175.8
[M]+ 391.88483 174.5
[M]- 391.88593 174.5
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.