CID 120388

830-41-1

Structural Information

Molecular Formula

C₉H₁₀BrNO₂S

SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C9H10BrNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h2-6,11H,1,7H2

InChIKey

ZJJKFCZKLGCVNS-UHFFFAOYSA-N

Compound name

4-bromo-N-prop-2-enylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 274.96155 Da
Monoisotopic Mass: 2.2
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]+	275.968826	142.0
[M+Na]+	297.950768	153.9
[M-H]-	273.954274	148.6
[M+NH4]+	292.995373	162.2
[M+K]+	313.924708	140.9
[M+H-H2O]+	257.958810	141.8
[M+HCOO]-	319.959751	159.4
[M+CH3COO]-	333.975401	192.8
[M+Na-2H]-	295.936216	149.0
[M]+	274.96100142	162.3
[M]-	274.96209858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe