CID 3001580

Nsc658718

Structural Information

Molecular Formula
C15H10ClN3S
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=NC(=S)NN4)Cl
InChI
InChI=1S/C15H10ClN3S/c16-13-15(19-18-14(20)17-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8,19H,(H,18,20)
InChIKey
QRYIMJSMYCTEGP-UHFFFAOYSA-N
Compound name
5-chlorospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.02838 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03566 163.6
[M+Na]+ 322.01760 176.0
[M-H]- 298.02110 165.1
[M+NH4]+ 317.06220 181.6
[M+K]+ 337.99154 166.6
[M+H-H2O]+ 282.02564 156.8
[M+HCOO]- 344.02658 169.3
[M+CH3COO]- 358.04223 174.2
[M+Na-2H]- 320.00305 168.0
[M]+ 299.02783 163.0
[M]- 299.02893 163.0
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.