CID 248693

2-chlorobenzyl 4-cinnolinyl sulfide

Structural Information

Molecular Formula
C15H11ClN2S
SMILES
C1=CC=C(C(=C1)CSC2=CN=NC3=CC=CC=C32)Cl
InChI
InChI=1S/C15H11ClN2S/c16-13-7-3-1-5-11(13)10-19-15-9-17-18-14-8-4-2-6-12(14)15/h1-9H,10H2
InChIKey
GUZWBLNIMFUHIM-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methylsulfanyl]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

286.03314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04042 159.3
[M+Na]+ 309.02236 170.1
[M-H]- 285.02586 164.3
[M+NH4]+ 304.06696 175.0
[M+K]+ 324.99630 162.6
[M+H-H2O]+ 269.03040 151.3
[M+HCOO]- 331.03134 171.0
[M+CH3COO]- 345.04699 171.1
[M+Na-2H]- 307.00781 165.3
[M]+ 286.03259 163.5
[M]- 286.03369 163.5
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.