CID 2735964

326-45-4

Structural Information

Molecular Formula
C8H5F3N2S2
SMILES
C1=CC2=C(C=C1SC(F)(F)F)SC(=N2)N
InChI
InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKey
PBRVVEXJMLEKMJ-UHFFFAOYSA-N
Compound name
6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
Patents

249.98462 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99190 142.0
[M+Na]+ 272.97384 154.5
[M-H]- 248.97734 141.8
[M+NH4]+ 268.01844 161.7
[M+K]+ 288.94778 148.5
[M+H-H2O]+ 232.98188 134.5
[M+HCOO]- 294.98282 152.8
[M+CH3COO]- 308.99847 154.5
[M+Na-2H]- 270.95929 144.5
[M]+ 249.98407 142.1
[M]- 249.98517 142.1
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