CID 480272

159803-11-9

Structural Information

Molecular Formula
C7H4FNOS
SMILES
C1=CC2=C(C=C1F)SNC2=O
InChI
InChI=1S/C7H4FNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
InChIKey
WLQRIPHXCTXOQC-UHFFFAOYSA-N
Compound name
6-fluoro-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

168.99976 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00704 125.9
[M+Na]+ 191.98898 139.0
[M-H]- 167.99248 128.2
[M+NH4]+ 187.03358 148.7
[M+K]+ 207.96292 134.5
[M+H-H2O]+ 151.99702 120.4
[M+HCOO]- 213.99796 144.9
[M+CH3COO]- 228.01361 141.0
[M+Na-2H]- 189.97443 131.2
[M]+ 168.99921 127.9
[M]- 169.00031 127.9
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