CID 47176171

950785-37-2

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂S

SMILES

C1CN(S(=O)(=O)C1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C10H12BrNO2S/c11-10-4-2-9(3-5-10)8-12-6-1-7-15(12,13)14/h2-5H,1,6-8H2

InChIKey

TYLGBYPNRCBPLB-UHFFFAOYSA-N

Compound name

2-[(4-bromophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 288.9772 Da
Monoisotopic Mass: 1.8
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]+	289.98448	145.2
[M+Na]+	311.96642	158.6
[M-H]-	287.96992	154.0
[M+NH4]+	307.01102	168.0
[M+K]+	327.94036	147.2
[M+H-H2O]+	271.97446	146.4
[M+HCOO]-	333.97540	161.7
[M+CH3COO]-	347.99105	191.2
[M+Na-2H]-	309.95187	150.0
[M]+	288.97665	165.5
[M]-	288.97775	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe