CID 4294570

N-(2-aminoethyl)-4-fluorobenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C8H11FN2O2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NCCN
InChI
InChI=1S/C8H11FN2O2S/c9-7-1-3-8(4-2-7)14(12,13)11-6-5-10/h1-4,11H,5-6,10H2
InChIKey
CJTFAYYPQRBCMV-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

218.05252 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.059796 142.1
[M+Na]+ 241.041738 149.9
[M-H]- 217.045244 144.1
[M+NH4]+ 236.086343 160.1
[M+K]+ 257.015678 146.1
[M+H-H2O]+ 201.049780 134.9
[M+HCOO]- 263.050721 161.0
[M+CH3COO]- 277.066371 187.9
[M+Na-2H]- 239.027186 146.7
[M]+ 218.05197142 141.3
[M]- 218.05306858 141.3
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

patents stripe