CID 785610

8-[(4-nitrophenyl)thio]quinoline hydrochloride

Structural Information

Molecular Formula
C15H10N2O2S
SMILES
C1=CC2=C(C(=C1)SC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2
InChI
InChI=1S/C15H10N2O2S/c18-17(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-16-15(11)14/h1-10H
InChIKey
GTGIKNIFMCNNKP-UHFFFAOYSA-N
Compound name
8-(4-nitrophenyl)sulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

282.0463 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05358 158.7
[M+Na]+ 305.03552 166.3
[M-H]- 281.03902 165.1
[M+NH4]+ 300.08012 173.5
[M+K]+ 321.00946 156.8
[M+H-H2O]+ 265.04356 154.7
[M+HCOO]- 327.04450 177.1
[M+CH3COO]- 341.06015 193.0
[M+Na-2H]- 303.02097 166.7
[M]+ 282.04575 158.7
[M]- 282.04685 158.7
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

No patent data available for this compound.