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]+ 218.02817 140.3
[M+Na]+ 240.01011 149.7
[M-H]- 216.01361 143.0
[M+NH4]+ 235.05471 158.9
[M+K]+ 255.98405 146.6
[M+H-H2O]+ 200.01815 134.0
[M+HCOO]- 262.01909 157.7
[M+CH3COO]- 276.03474 186.1
[M+Na-2H]- 237.99556 142.9
[M]+ 217.02034 140.9
[M]- 217.02144 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