CID 2529383

2-[(4-fluorobenzenesulfonamido)oxy]acetic acid

Structural Information

Molecular Formula
C8H8FNO5S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NOCC(=O)O
InChI
InChI=1S/C8H8FNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKey
JYCJJJKCRVCGKY-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)sulfonylamino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.01073 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01801 146.7
[M+Na]+ 271.99995 154.3
[M-H]- 248.00345 147.9
[M+NH4]+ 267.04455 162.9
[M+K]+ 287.97389 151.7
[M+H-H2O]+ 232.00799 139.8
[M+HCOO]- 294.00893 163.7
[M+CH3COO]- 308.02458 187.4
[M+Na-2H]- 269.98540 150.9
[M]+ 249.01018 148.8
[M]- 249.01128 148.8
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

No patent data available for this compound.