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 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

No literature data available for this compound.

Patent stripe

patents stripe