CID 254094

1683-34-7

Structural Information

Molecular Formula
C15H9Cl2FN2S
SMILES
C1=CC2=C(C(=C1)F)N=NC=C2SCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2FN2S/c16-10-5-4-9(12(17)6-10)8-21-14-7-19-20-15-11(14)2-1-3-13(15)18/h1-7H,8H2
InChIKey
WIUFJAFQRZXBDB-UHFFFAOYSA-N
Compound name
4-[(2,4-dichlorophenyl)methylsulfanyl]-8-fluorocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.98474 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99202 166.6
[M+Na]+ 360.97396 179.1
[M-H]- 336.97746 170.0
[M+NH4]+ 356.01856 181.0
[M+K]+ 376.94790 170.5
[M+H-H2O]+ 320.98200 158.3
[M+HCOO]- 382.98294 172.0
[M+CH3COO]- 396.99859 177.6
[M+Na-2H]- 358.95941 169.9
[M]+ 337.98419 171.7
[M]- 337.98529 171.7
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

No patent data available for this compound.