CID 46937107

2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide

Structural Information

Molecular Formula
C8H7FN2O4S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NCC(=O)N=O
InChI
InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2
InChIKey
ATANXIMWDMRRIO-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)sulfonylamino]-N-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.01106 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01834 146.5
[M+Na]+ 269.00028 154.6
[M-H]- 245.00378 150.6
[M+NH4]+ 264.04488 164.0
[M+K]+ 284.97422 152.6
[M+H-H2O]+ 229.00832 138.8
[M+HCOO]- 291.00926 167.4
[M+CH3COO]- 305.02491 193.7
[M+Na-2H]- 266.98573 151.9
[M]+ 246.01051 149.3
[M]- 246.01161 149.3
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