CID 120261

N,n-bis(2-iodoethyl)methanesulfonamide

Structural Information

Molecular Formula

C₅H₁₁I₂NO₂S

SMILES

CS(=O)(=O)N(CCI)CCI

InChI

InChI=1S/C5H11I2NO2S/c1-11(9,10)8(4-2-6)5-3-7/h2-5H2,1H3

InChIKey

FPKLDZIWQICHSX-UHFFFAOYSA-N

Compound name

N,N-bis(2-iodoethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 402.86 Da
Monoisotopic Mass: 1.7
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]+	403.86728	155.2
[M+Na]+	425.84922	148.0
[M-H]-	401.85272	145.9
[M+NH4]+	420.89382	164.7
[M+K]+	441.82316	158.9
[M+H-H2O]+	385.85726	144.0
[M+HCOO]-	447.85820	163.3
[M+CH3COO]-	461.87385	206.6
[M+Na-2H]-	423.83467	140.7
[M]+	402.85945	154.2
[M]-	402.86055	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe