CID 292333

4-(4-chloro-6-nitroquinolin-2-yl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C15H8ClFN2O4S
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2)Cl)S(=O)(=O)F
InChI
InChI=1S/C15H8ClFN2O4S/c16-13-8-15(9-1-4-11(5-2-9)24(17,22)23)18-14-6-3-10(19(20)21)7-12(13)14/h1-8H
InChIKey
VEBUPLFNSLDLRW-UHFFFAOYSA-N
Compound name
4-(4-chloro-6-nitroquinolin-2-yl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

365.98773 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99501 170.0
[M+Na]+ 388.97695 185.9
[M+NH4]+ 384.02155 177.4
[M+K]+ 404.95089 179.6
[M-H]- 364.98045 173.5
[M+Na-2H]- 386.96240 178.2
[M]+ 365.98718 174.0
[M]- 365.98828 174.0
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