CID 50989743

3-(aminomethyl)-4-fluorobenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C7H9FN2O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)CN)F
InChI
InChI=1S/C7H9FN2O2S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-3H,4,9H2,(H2,10,11,12)
InChIKey
QIDSKURYVCYEIY-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03688 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.044156 138.0
[M+Na]+ 227.026098 147.1
[M-H]- 203.029604 140.0
[M+NH4]+ 222.070703 156.6
[M+K]+ 243.000038 143.2
[M+H-H2O]+ 187.034140 131.3
[M+HCOO]- 249.035081 156.5
[M+CH3COO]- 263.050731 185.5
[M+Na-2H]- 225.011546 141.3
[M]+ 204.03633142 136.2
[M]- 204.03742858 136.2
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.