CID 22499311

681808-52-6

Structural Information

Molecular Formula

C₃H₆BrNO₂S

SMILES

C1CC1(S(=O)(=O)N)Br

InChI

InChI=1S/C3H6BrNO2S/c4-3(1-2-3)8(5,6)7/h1-2H2,(H2,5,6,7)

InChIKey

YPHICZHBSNHXIT-UHFFFAOYSA-N

Compound name

1-bromocyclopropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 198.93027 Da
Monoisotopic Mass: 0.2
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]+	199.93755	122.1
[M+Na]+	221.91949	136.2
[M-H]-	197.92299	129.4
[M+NH4]+	216.96409	142.0
[M+K]+	237.89343	124.9
[M+H-H2O]+	181.92753	123.3
[M+HCOO]-	243.92847	139.0
[M+CH3COO]-	257.94412	181.0
[M+Na-2H]-	219.90494	130.9
[M]+	198.92972	142.8
[M]-	198.93082	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe