CID 19073169

14347-24-1

Structural Information

Molecular Formula

C₉H₁₀BrNO₄S

SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)CBr)O

InChI

InChI=1S/C9H10BrNO4S/c1-16(14,15)11-7-4-6(9(13)5-10)2-3-8(7)12/h2-4,11-12H,5H2,1H3

InChIKey

GYEQBFBEBZJFLU-UHFFFAOYSA-N

Compound name

N-[5-(2-bromoacetyl)-2-hydroxyphenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 306.9514 Da
Monoisotopic Mass: 1.0
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]+	307.95868	145.7
[M+Na]+	329.94062	146.4
[M+NH4]+	324.98522	148.4
[M+K]+	345.91456	147.8
[M-H]-	305.94412	144.2
[M+Na-2H]-	327.92607	147.4
[M]+	306.95085	144.3
[M]-	306.95195	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe