CID 70753

2-fluorobenzothiazole

Structural Information

Molecular Formula
C7H4FNS
SMILES
C1=CC=C2C(=C1)N=C(S2)F
InChI
InChI=1S/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey
QVWCHVAUHZEAAT-UHFFFAOYSA-N
Compound name
2-fluoro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

293
Patents

153.00485 Da
Monoisotopic Mass

2.7
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