CID 47207535

Sodium starch glycolate

Structural Information

Molecular Formula
C11H14FNO3S
SMILES
CCCS(=O)(=O)CC(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C11H14FNO3S/c1-2-7-17(15,16)8-11(14)13-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKey
COTYJDILSJMZTQ-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2-propylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

107
References

0
Patents

259.06784 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07512 154.3
[M+Na]+ 282.05706 161.6
[M-H]- 258.06056 156.6
[M+NH4]+ 277.10166 171.2
[M+K]+ 298.03100 158.1
[M+H-H2O]+ 242.06510 147.0
[M+HCOO]- 304.06604 171.4
[M+CH3COO]- 318.08169 193.9
[M+Na-2H]- 280.04251 157.0
[M]+ 259.06729 156.4
[M]- 259.06839 156.4
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.