CID 10562485

6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C9H7F3N2OS
SMILES
C1=CC2=C(C=C1OCC(F)(F)F)SC(=N2)N
InChI
InChI=1S/C9H7F3N2OS/c10-9(11,12)4-15-5-1-2-6-7(3-5)16-8(13)14-6/h1-3H,4H2,(H2,13,14)
InChIKey
AUASPYTYDDWIAM-UHFFFAOYSA-N
Compound name
6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

248.02312 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.030396 145.4
[M+Na]+ 271.012338 157.1
[M-H]- 247.015844 145.4
[M+NH4]+ 266.056943 164.9
[M+K]+ 286.986278 152.7
[M+H-H2O]+ 231.020380 137.2
[M+HCOO]- 293.021321 161.6
[M+CH3COO]- 307.036971 191.2
[M+Na-2H]- 268.997786 149.4
[M]+ 248.02257142 146.0
[M]- 248.02366858 146.0
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