CID 43828340

Methyl 2-bromo-5-sulfamoylbenzoate

Structural Information

Molecular Formula

C₈H₈BrNO₄S

SMILES

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

InChI

InChI=1S/C8H8BrNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13)

InChIKey

IQWBSPAOUYKERV-UHFFFAOYSA-N

Compound name

methyl 2-bromo-5-sulfamoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 292.93573 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]+	293.94301	141.1
[M+Na]+	315.92495	142.2
[M+NH4]+	310.96955	144.1
[M+K]+	331.89889	143.7
[M-H]-	291.92845	139.9
[M+Na-2H]-	313.91040	143.2
[M]+	292.93518	139.9
[M]-	292.93628	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe