CID 28753997

N-(2-aminoethyl)-5-chlorothiophene-2-sulfonamide hydrochloride

Structural Information

Molecular Formula
C6H9ClN2O2S2
SMILES
C1=C(SC(=C1)Cl)S(=O)(=O)NCCN
InChI
InChI=1S/C6H9ClN2O2S2/c7-5-1-2-6(12-5)13(10,11)9-4-3-8/h1-2,9H,3-4,8H2
InChIKey
DGZXAKHMISTQSA-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-5-chlorothiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.9794 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98668 148.6
[M+Na]+ 262.96862 157.7
[M-H]- 238.97212 152.1
[M+NH4]+ 258.01322 168.6
[M+K]+ 278.94256 151.9
[M+H-H2O]+ 222.97666 144.1
[M+HCOO]- 284.97760 159.5
[M+CH3COO]- 298.99325 187.8
[M+Na-2H]- 260.95407 150.1
[M]+ 239.97885 151.4
[M]- 239.97995 151.4
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.