CID 22729827

4-acetamido-3-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClFNO3S
SMILES
CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C8H7ClFNO3S/c1-5(12)11-8-3-2-6(4-7(8)10)15(9,13)14/h2-4H,1H3,(H,11,12)
InChIKey
CTELCYFLRNFINY-UHFFFAOYSA-N
Compound name
4-acetamido-3-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

250.98192 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.989196 145.3
[M+Na]+ 273.971138 155.4
[M-H]- 249.974644 148.7
[M+NH4]+ 269.015743 163.8
[M+K]+ 289.945078 151.0
[M+H-H2O]+ 233.979180 140.0
[M+HCOO]- 295.980121 158.9
[M+CH3COO]- 309.995771 189.9
[M+Na-2H]- 271.956586 148.6
[M]+ 250.98137142 148.8
[M]- 250.98246858 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

No literature data available for this compound.

Patent stripe

patents stripe