CID 50989215

6-fluoro-4-methoxy-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H7FN2OS
SMILES
COC1=C2C(=CC(=C1)F)SC(=N2)N
InChI
InChI=1S/C8H7FN2OS/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,1H3,(H2,10,11)
InChIKey
PMQKEBRMDRHQRX-UHFFFAOYSA-N
Compound name
6-fluoro-4-methoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.0263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03358 136.4
[M+Na]+ 221.01552 148.7
[M+NH4]+ 216.06012 145.2
[M+K]+ 236.98946 142.4
[M-H]- 197.01902 137.8
[M+Na-2H]- 219.00097 141.9
[M]+ 198.02575 138.9
[M]- 198.02685 138.9
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

patents stripe