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]+ 205.04416 139.6
[M+Na]+ 227.02610 148.6
[M+NH4]+ 222.07070 146.2
[M+K]+ 243.00004 142.8
[M-H]- 203.02960 139.6
[M+Na-2H]- 225.01155 143.9
[M]+ 204.03633 141.0
[M]- 204.03743 141.0
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.