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 138.0
[M+Na]+ 227.02610 147.1
[M-H]- 203.02960 140.0
[M+NH4]+ 222.07070 156.6
[M+K]+ 243.00004 143.2
[M+H-H2O]+ 187.03414 131.3
[M+HCOO]- 249.03508 156.5
[M+CH3COO]- 263.05073 185.5
[M+Na-2H]- 225.01155 141.3
[M]+ 204.03633 136.2
[M]- 204.03743 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.