CID 736259

5-(2,5-dichlorophenyl)-2-furoic acid

Structural Information

Molecular Formula
C11H6Cl2O3
SMILES
C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(=O)O)Cl
InChI
InChI=1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKey
ATAZLMGGQQLRBC-UHFFFAOYSA-N
Compound name
5-(2,5-dichlorophenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5
Patents

255.9694 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.97668 150.0
[M+Na]+ 278.95862 161.2
[M-H]- 254.96212 156.5
[M+NH4]+ 274.00322 168.3
[M+K]+ 294.93256 156.6
[M+H-H2O]+ 238.96666 145.9
[M+HCOO]- 300.96760 163.8
[M+CH3COO]- 314.98325 188.4
[M+Na-2H]- 276.94407 153.0
[M]+ 255.96885 155.0
[M]- 255.96995 155.0
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