CID 23424259

32417-81-5

Structural Information

Molecular Formula
C5HCl3O3
SMILES
C1(=C(OC(=C1Cl)Cl)C(=O)O)Cl
InChI
InChI=1S/C5HCl3O3/c6-1-2(7)4(8)11-3(1)5(9)10/h(H,9,10)
InChIKey
WKDGIASDCHPIDT-UHFFFAOYSA-N
Compound name
3,4,5-trichlorofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.89912 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.90640 134.8
[M+Na]+ 236.88834 146.8
[M-H]- 212.89184 137.2
[M+NH4]+ 231.93294 154.8
[M+K]+ 252.86228 142.7
[M+H-H2O]+ 196.89638 133.1
[M+HCOO]- 258.89732 143.4
[M+CH3COO]- 272.91297 180.8
[M+Na-2H]- 234.87379 137.8
[M]+ 213.89857 139.3
[M]- 213.89967 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe