CID 28973411

N-(2-aminoethyl)-3-bromobenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C8H11BrN2O2S
SMILES
C1=CC(=CC(=C1)Br)S(=O)(=O)NCCN
InChI
InChI=1S/C8H11BrN2O2S/c9-7-2-1-3-8(6-7)14(12,13)11-5-4-10/h1-3,6,11H,4-5,10H2
InChIKey
NDDHMPMWBNJLQX-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-3-bromobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.97247 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97975 142.5
[M+Na]+ 300.96169 153.4
[M-H]- 276.96519 148.3
[M+NH4]+ 296.00629 161.8
[M+K]+ 316.93563 140.4
[M+H-H2O]+ 260.96973 141.4
[M+HCOO]- 322.97067 160.1
[M+CH3COO]- 336.98632 194.9
[M+Na-2H]- 298.94714 149.3
[M]+ 277.97192 161.2
[M]- 277.97302 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.