CID 44667

6-fluoro-2(3h)-benzothiazolone

Structural Information

Molecular Formula
C7H4FNOS
SMILES
C1=CC2=C(C=C1F)SC(=O)N2
InChI
InChI=1S/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
HCFZOCSVSDAYQF-UHFFFAOYSA-N
Compound name
6-fluoro-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

44
Patents

168.99976 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00704 128.9
[M+Na]+ 191.98898 142.1
[M+NH4]+ 187.03358 138.0
[M+K]+ 207.96292 135.4
[M-H]- 167.99248 129.5
[M+Na-2H]- 189.97443 134.8
[M]+ 168.99921 131.3
[M]- 169.00031 131.3
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