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
5
Annotation Hits

0
References

49
Patents

168.99976 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.007036 125.9
[M+Na]+ 191.988978 139.0
[M-H]- 167.992484 128.2
[M+NH4]+ 187.033583 148.7
[M+K]+ 207.962918 134.5
[M+H-H2O]+ 151.997020 120.4
[M+HCOO]- 213.997961 144.9
[M+CH3COO]- 228.013611 141.0
[M+Na-2H]- 189.974426 131.2
[M]+ 168.99921142 127.9
[M]- 169.00030858 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