CID 10534958

118220-71-6

Structural Information

Molecular Formula
C7H4FNS
SMILES
C1=CC2=C(C=C1F)SC=N2
InChI
InChI=1S/C7H4FNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKey
BGSRFMFTXMPTSC-UHFFFAOYSA-N
Compound name
6-fluoro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

494
Patents

153.00485 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01213 122.4
[M+Na]+ 175.99407 135.1
[M-H]- 151.99757 125.8
[M+NH4]+ 171.03867 146.4
[M+K]+ 191.96801 131.7
[M+H-H2O]+ 136.00211 116.5
[M+HCOO]- 198.00305 142.6
[M+CH3COO]- 212.01870 138.0
[M+Na-2H]- 173.97952 128.8
[M]+ 153.00430 125.2
[M]- 153.00540 125.2
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