CID 767908

95454-00-5

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₄S

SMILES

CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)Cl

InChI

InChI=1S/C11H13Cl2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16)

InChIKey

PJAZEADZNVJRAL-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-(diethylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 7
Patents: 324.99423 Da
Monoisotopic Mass: 2.6
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]+	326.00151	162.8
[M+Na]+	347.98345	172.0
[M-H]-	323.98695	167.0
[M+NH4]+	343.02805	178.9
[M+K]+	363.95739	167.3
[M+H-H2O]+	307.99149	159.2
[M+HCOO]-	369.99243	170.8
[M+CH3COO]-	384.00808	205.4
[M+Na-2H]-	345.96890	163.4
[M]+	324.99368	170.9
[M]-	324.99478	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe