CID 473561

4-chloro-6-fluorosulfonyl-2-(4-nitrophenyl)quinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
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 175.1
[M+Na]+ 388.97695 184.7
[M-H]- 364.98045 180.7
[M+NH4]+ 384.02155 187.4
[M+K]+ 404.95089 174.4
[M+H-H2O]+ 348.98499 171.4
[M+HCOO]- 410.98593 186.8
[M+CH3COO]- 425.00158 204.3
[M+Na-2H]- 386.96240 182.4
[M]+ 365.98718 177.8
[M]- 365.98828 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

literature stripe

Patent stripe

patents stripe