CID 13590085

108656-33-3

Structural Information

Molecular Formula
C10H14FNO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)N)O
InChI
InChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3
InChIKey
XLSYLQDVLAXIKK-UHFFFAOYSA-N
Compound name
2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

247.06784 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07512 151.0
[M+Na]+ 270.05706 157.6
[M-H]- 246.06056 151.5
[M+NH4]+ 265.10166 167.3
[M+K]+ 286.03100 154.3
[M+H-H2O]+ 230.06510 144.3
[M+HCOO]- 292.06604 165.0
[M+CH3COO]- 306.08169 190.3
[M+Na-2H]- 268.04251 151.7
[M]+ 247.06729 150.1
[M]- 247.06839 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe