CID 3003808

8-fluoro-4-cinnolinethiol

Structural Information

Molecular Formula
C8H5FN2S
SMILES
C1=CC2=C(C(=C1)F)NN=CC2=S
InChI
InChI=1S/C8H5FN2S/c9-6-3-1-2-5-7(12)4-10-11-8(5)6/h1-4H,(H,11,12)
InChIKey
PSTBDCVCFOSTSQ-UHFFFAOYSA-N
Compound name
8-fluoro-1H-cinnoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.01575 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02303 130.0
[M+Na]+ 203.00497 141.7
[M-H]- 179.00847 130.1
[M+NH4]+ 198.04957 148.9
[M+K]+ 218.97891 136.0
[M+H-H2O]+ 163.01301 123.1
[M+HCOO]- 225.01395 144.8
[M+CH3COO]- 239.02960 143.2
[M+Na-2H]- 200.99042 136.5
[M]+ 180.01520 129.0
[M]- 180.01630 129.0
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.