CID 28941925

4-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C9H7F3N2OS
SMILES
C1=CC(=C2C(=C1)SC(=N2)N)OCC(F)(F)F
InChI
InChI=1S/C9H7F3N2OS/c10-9(11,12)4-15-5-2-1-3-6-7(5)14-8(13)16-6/h1-3H,4H2,(H2,13,14)
InChIKey
MWKAAIQKVGOALA-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02312 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03040 148.7
[M+Na]+ 271.01234 157.3
[M+NH4]+ 266.05694 154.8
[M+K]+ 286.98628 152.3
[M-H]- 247.01584 146.0
[M+Na-2H]- 268.99779 152.2
[M]+ 248.02257 149.3
[M]- 248.02367 149.3
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

No patent data available for this compound.