CID 55276483

7-fluorobenzo[d]thiazol-2(3h)-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.99976 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.