CID 2880064

2,4-dichloro-5-[(furan-2-ylmethyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C12H9Cl2NO5S
SMILES
C1=COC(=C1)CNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C12H9Cl2NO5S/c13-9-5-10(14)11(4-8(9)12(16)17)21(18,19)15-6-7-2-1-3-20-7/h1-5,15H,6H2,(H,16,17)
InChIKey
LTLCPKPWNLFQRV-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

348.95786 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.96514 174.8
[M+Na]+ 371.94708 186.2
[M+NH4]+ 366.99168 180.9
[M+K]+ 387.92102 181.4
[M-H]- 347.95058 177.0
[M+Na-2H]- 369.93253 179.0
[M]+ 348.95731 177.9
[M]- 348.95841 177.9
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

No patent data available for this compound.