CID 767898

4-chloro-3-diethylsulfamoyl-benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₄S

SMILES

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

InChI

InChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15)

InChIKey

OANXBFKRXPGEGI-UHFFFAOYSA-N

Compound name

4-chloro-3-(diethylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 5
Patents: 291.0332 Da
Monoisotopic Mass: 2.0
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]+	292.04048	162.6
[M+Na]+	314.02242	172.7
[M+NH4]+	309.06702	168.8
[M+K]+	329.99636	166.8
[M-H]-	290.02592	162.4
[M+Na-2H]-	312.00787	166.3
[M]+	291.03265	164.5
[M]-	291.03375	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe