CID 20117675

4-(4-fluorobenzamido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C13H9ClFNO3S
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl)F
InChI
InChI=1S/C13H9ClFNO3S/c14-20(18,19)12-7-5-11(6-8-12)16-13(17)9-1-3-10(15)4-2-9/h1-8H,(H,16,17)
InChIKey
KXFCDHAFJMTJLI-UHFFFAOYSA-N
Compound name
4-[(4-fluorobenzoyl)amino]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.99756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.00484 163.1
[M+Na]+ 335.98678 172.6
[M-H]- 311.99028 169.3
[M+NH4]+ 331.03138 178.7
[M+K]+ 351.96072 166.7
[M+H-H2O]+ 295.99482 156.2
[M+HCOO]- 357.99576 176.7
[M+CH3COO]- 372.01141 200.7
[M+Na-2H]- 333.97223 166.7
[M]+ 312.99701 166.3
[M]- 312.99811 166.3
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