CID 4652880

59777-72-9

Structural Information

Molecular Formula

C₉H₁₁NO₄S

SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)N

InChI

InChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)

InChIKey

CYFKZTWSLPKROH-UHFFFAOYSA-N

Compound name

ethyl 2-sulfamoylbenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 48
Patents: 229.04088 Da
Monoisotopic Mass: 1.3
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]+	230.048156	146.7
[M+Na]+	252.030098	154.7
[M-H]-	228.033604	150.3
[M+NH4]+	247.074703	164.6
[M+K]+	268.004038	152.3
[M+H-H2O]+	212.038140	140.7
[M+HCOO]-	274.039081	165.1
[M+CH3COO]-	288.054731	186.7
[M+Na-2H]-	250.015546	150.1
[M]+	229.04033142	149.7
[M]-	229.04142858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe