CID 5278223

5-fluoro-1,4-dihydro-2,3-benzodithiine

Structural Information

Molecular Formula
C8H7FS2
SMILES
C1C2=C(CSS1)C(=CC=C2)F
InChI
InChI=1S/C8H7FS2/c9-8-3-1-2-6-4-10-11-5-7(6)8/h1-3H,4-5H2
InChIKey
LWWOZUCMTIDWGA-UHFFFAOYSA-N
Compound name
5-fluoro-1,4-dihydro-2,3-benzodithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

185.99731 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00459 128.4
[M+Na]+ 208.98653 137.1
[M-H]- 184.99003 131.3
[M+NH4]+ 204.03113 150.1
[M+K]+ 224.96047 132.7
[M+H-H2O]+ 168.99457 122.7
[M+HCOO]- 230.99551 138.6
[M+CH3COO]- 245.01116 141.3
[M+Na-2H]- 206.97198 132.2
[M]+ 185.99676 126.8
[M]- 185.99786 126.8
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

patents stripe