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 149.5
[M+Na]+ 271.05232 157.0
[M-H]- 247.05582 150.2
[M+NH4]+ 266.09692 165.8
[M+K]+ 287.02626 152.7
[M+H-H2O]+ 231.06036 142.4
[M+HCOO]- 293.06130 166.8
[M+CH3COO]- 307.07695 191.9
[M+Na-2H]- 269.03777 152.7
[M]+ 248.06255 149.0
[M]- 248.06365 149.0
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.