CID 16771084

4-acetamido-2-fluorobenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

250.98192 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98920 145.3
[M+Na]+ 273.97114 155.4
[M-H]- 249.97464 148.7
[M+NH4]+ 269.01574 163.8
[M+K]+ 289.94508 151.0
[M+H-H2O]+ 233.97918 140.0
[M+HCOO]- 295.98012 158.9
[M+CH3COO]- 309.99577 189.9
[M+Na-2H]- 271.95659 148.6
[M]+ 250.98137 148.8
[M]- 250.98247 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