CID 669159

Methyl 4-methanesulfonamidobenzoate

Structural Information

Molecular Formula

C₉H₁₁NO₄S

SMILES

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C

InChI

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

InChIKey

QFDZXBAQIPTWSB-UHFFFAOYSA-N

Compound name

methyl 4-(methanesulfonamido)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 229.04088 Da
Monoisotopic Mass: 1.2
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]+	230.04816	148.2
[M+Na]+	252.03010	158.0
[M+NH4]+	247.07470	154.6
[M+K]+	268.00404	152.4
[M-H]-	228.03360	148.3
[M+Na-2H]-	250.01555	152.9
[M]+	229.04033	149.8
[M]-	229.04143	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe