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

9
Patents

365.98773 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.995006 175.1
[M+Na]+ 388.976948 184.7
[M-H]- 364.980454 180.7
[M+NH4]+ 384.021553 187.4
[M+K]+ 404.950888 174.4
[M+H-H2O]+ 348.984990 171.4
[M+HCOO]- 410.985931 186.8
[M+CH3COO]- 425.001581 204.3
[M+Na-2H]- 386.962396 182.4
[M]+ 365.98718142 177.8
[M]- 365.98827858 177.8
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