CID 45791607

N-(3-amino-4-fluorophenyl)-3-hydroxypropane-1-sulfonamide

Structural Information

Molecular Formula
C9H13FN2O3S
SMILES
C1=CC(=C(C=C1NS(=O)(=O)CCCO)N)F
InChI
InChI=1S/C9H13FN2O3S/c10-8-3-2-7(6-9(8)11)12-16(14,15)5-1-4-13/h2-3,6,12-13H,1,4-5,11H2
InChIKey
ABQSLFFTQUWEDM-UHFFFAOYSA-N
Compound name
N-(3-amino-4-fluorophenyl)-3-hydroxypropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0631 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07038 151.1
[M+Na]+ 271.05232 158.9
[M+NH4]+ 266.09692 156.6
[M+K]+ 287.02626 153.4
[M-H]- 247.05582 150.2
[M+Na-2H]- 269.03777 154.4
[M]+ 248.06255 152.0
[M]- 248.06365 152.0
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.