CID 12268469

1-bromo-n,n-dimethylmethanesulfonamide

Structural Information

Molecular Formula

C₃H₈BrNO₂S

SMILES

CN(C)S(=O)(=O)CBr

InChI

InChI=1S/C3H8BrNO2S/c1-5(2)8(6,7)3-4/h3H2,1-2H3

InChIKey

MVZNJIOTIDUDMN-UHFFFAOYSA-N

Compound name

1-bromo-N,N-dimethylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 200.9459 Da
Monoisotopic Mass: 0.4
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]+	201.95318	123.6
[M+Na]+	223.93512	135.9
[M-H]-	199.93862	128.8
[M+NH4]+	218.97972	147.3
[M+K]+	239.90906	126.2
[M+H-H2O]+	183.94316	124.0
[M+HCOO]-	245.94410	141.4
[M+CH3COO]-	259.95975	183.3
[M+Na-2H]-	221.92057	130.8
[M]+	200.94535	145.4
[M]-	200.94645	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe