CID 70968688

4-acetyl-3-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H8FNO3S
SMILES
CC(=O)C1=C(C=C(C=C1)S(=O)(=O)N)F
InChI
InChI=1S/C8H8FNO3S/c1-5(11)7-3-2-6(4-8(7)9)14(10,12)13/h2-4H,1H3,(H2,10,12,13)
InChIKey
KJOIQXJZNUTIBY-UHFFFAOYSA-N
Compound name
4-acetyl-3-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.02089 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.028166 140.3
[M+Na]+ 240.010108 149.7
[M-H]- 216.013614 143.0
[M+NH4]+ 235.054713 158.9
[M+K]+ 255.984048 146.6
[M+H-H2O]+ 200.018150 134.0
[M+HCOO]- 262.019091 157.7
[M+CH3COO]- 276.034741 186.1
[M+Na-2H]- 237.995556 142.9
[M]+ 217.02034142 140.9
[M]- 217.02143858 140.9
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

patents stripe