CID 43242433

Methyl 2-fluoro-5-sulfamoylbenzoate

Structural Information

Molecular Formula

C₈H₈FNO₄S

SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)F

InChI

InChI=1S/C8H8FNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13)

InChIKey

WNDPEZPNAUBWAD-UHFFFAOYSA-N

Compound name

methyl 2-fluoro-5-sulfamoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 233.01581 Da
Monoisotopic Mass: 0.7
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]+	234.02309	147.4
[M+Na]+	256.00503	156.4
[M+NH4]+	251.04963	152.9
[M+K]+	271.97897	151.5
[M-H]-	232.00853	145.8
[M+Na-2H]-	253.99048	150.8
[M]+	233.01526	148.3
[M]-	233.01636	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe