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

41
Patents

250.98192 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98920 148.9
[M+Na]+ 273.97114 159.5
[M+NH4]+ 269.01574 155.5
[M+K]+ 289.94508 153.1
[M-H]- 249.97464 148.1
[M+Na-2H]- 271.95659 153.4
[M]+ 250.98137 150.7
[M]- 250.98247 150.7
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