CID 2342204

380432-44-0

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₅S

SMILES

C1=COC(=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C12H10ClNO5S/c13-10-4-3-8(12(15)16)6-11(10)20(17,18)14-7-9-2-1-5-19-9/h1-6,14H,7H2,(H,15,16)

InChIKey

OLEJMFOGDZWTFM-UHFFFAOYSA-N

Compound name

4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 314.99683 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.00411	166.3
[M+Na]+	337.98605	175.4
[M-H]-	313.98955	173.5
[M+NH4]+	333.03065	181.6
[M+K]+	353.95999	171.6
[M+H-H2O]+	297.99409	161.3
[M+HCOO]-	359.99503	180.2
[M+CH3COO]-	374.01068	197.6
[M+Na-2H]-	335.97150	169.4
[M]+	314.99628	172.5
[M]-	314.99738	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe