CID 19063893

2-amino-6-(trifluoromethoxy)-5-benzothiazolol

Structural Information

Molecular Formula
C8H5F3N2O2S
SMILES
C1=C2C(=CC(=C1O)OC(F)(F)F)SC(=N2)N
InChI
InChI=1S/C8H5F3N2O2S/c9-8(10,11)15-5-2-6-3(1-4(5)14)13-7(12)16-6/h1-2,14H,(H2,12,13)
InChIKey
ABPVPMBDUVEIQV-UHFFFAOYSA-N
Compound name
2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

250.00238 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.009656 144.1
[M+Na]+ 272.991598 156.4
[M-H]- 248.995104 143.2
[M+NH4]+ 268.036203 162.9
[M+K]+ 288.965538 151.9
[M+H-H2O]+ 232.999640 136.5
[M+HCOO]- 295.000581 159.2
[M+CH3COO]- 309.016231 189.0
[M+Na-2H]- 270.977046 147.8
[M]+ 250.00183142 144.3
[M]- 250.00292858 144.3
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