CID 275728

4-chloro-2-phenyl-6-quinolinesulfonyl fluoride

Structural Information

Molecular Formula
C15H9ClFNO2S
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)F)C(=C2)Cl
InChI
InChI=1S/C15H9ClFNO2S/c16-13-9-15(10-4-2-1-3-5-10)18-14-7-6-11(8-12(13)14)21(17,19)20/h1-9H
InChIKey
GLFHBDCZEVQSOQ-UHFFFAOYSA-N
Compound name
4-chloro-2-phenylquinoline-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

321.00266 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00994 166.3
[M+Na]+ 343.99188 178.4
[M-H]- 319.99538 172.1
[M+NH4]+ 339.03648 181.9
[M+K]+ 359.96582 171.2
[M+H-H2O]+ 303.99992 158.5
[M+HCOO]- 366.00086 177.4
[M+CH3COO]- 380.01651 178.3
[M+Na-2H]- 341.97733 171.9
[M]+ 321.00211 170.5
[M]- 321.00321 170.5
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