CID 4868363

1-[(5-bromo-2-thienyl)sulfonyl]piperazine

Structural Information

Molecular Formula

C₈H₁₁BrN₂O₂S₂

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C8H11BrN2O2S2/c9-7-1-2-8(14-7)15(12,13)11-5-3-10-4-6-11/h1-2,10H,3-6H2

InChIKey

HTOPNGXLBAAAHQ-UHFFFAOYSA-N

Compound name

1-(5-bromothiophen-2-yl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 309.94452 Da
Monoisotopic Mass: 1.5
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]+	310.95180	144.8
[M+Na]+	332.93374	157.0
[M-H]-	308.93724	150.4
[M+NH4]+	327.97834	163.1
[M+K]+	348.90768	144.2
[M+H-H2O]+	292.94178	146.1
[M+HCOO]-	354.94272	151.8
[M+CH3COO]-	368.95837	190.3
[M+Na-2H]-	330.91919	148.0
[M]+	309.94397	161.4
[M]-	309.94507	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe